Product OPENEYE NAME: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate
IUPAC NAME: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C16H25N5O16P2
MOLECULAR WEIGHT: 605.341122
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N
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Product OPENEYE NAME: N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CAS Name: N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
IUPAC NAME: N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
SYSTEMATIC NAME: N-[(7S)-10-azanyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)OC
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Product OPENEYE NAME: 5,5-dimethyltetrahydrofuran-2-one
CAS Name: 5,5-dimethyl-2-oxolanone
IUPAC NAME: 5,5-dimethyloxolan-2-one
SYSTEMATIC NAME: 5,5-dimethyloxolan-2-one
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CC1(CCC(=O)O1)C
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Product OPENEYE NAME: 2-trimethylsilylethyl carbamate
CAS Name: carbamic acid 2-trimethylsilylethyl ester
IUPAC NAME: 2-trimethylsilylethyl carbamate
SYSTEMATIC NAME: 2-trimethylsilylethyl carbamate
MOLECULAR FORMULA: C6H15NO2Si
MOLECULAR WEIGHT: 161.2743
SMILES: C[Si](C)(C)CCOC(=O)N
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Product OPENEYE NAME: 3,3-dimethylbutyl carbamate
CAS Name: carbamic acid 3,3-dimethylbutyl ester
IUPAC NAME: 3,3-dimethylbutyl carbamate
SYSTEMATIC NAME: 3,3-dimethylbutyl carbamate
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CC(C)(C)CCOC(=O)N
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Product OPENEYE NAME: 2,2-dimethylhexyl carbamate
CAS Name: carbamic acid 2,2-dimethylhexyl ester
IUPAC NAME: 2,2-dimethylhexyl carbamate
SYSTEMATIC NAME: 2,2-dimethylhexyl carbamate
MOLECULAR FORMULA: C9H19NO2
MOLECULAR WEIGHT: 173.25266
SMILES: CCCCC(C)(C)COC(=O)N
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Product OPENEYE NAME: 2,2-dimethylbutyl carbamate
CAS Name: carbamic acid 2,2-dimethylbutyl ester
IUPAC NAME: 2,2-dimethylbutyl carbamate
SYSTEMATIC NAME: 2,2-dimethylbutyl carbamate
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CCC(C)(C)COC(=O)N
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Product OPENEYE NAME: (17S)-17-(2-chloroethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CAS Name: (17S)-17-(2-chloroethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (17S)-17-(2-chloroethynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (17S)-17-(2-chloranylethynyl)-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H23ClO2
MOLECULAR WEIGHT: 330.84842
SMILES: CC12CCC3=C4CCC(=O)C=C4CCC3C1CC[C@]2(C#CCl)O
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Product OPENEYE NAME: 1,3-diisothiocyanatobenzene
CAS Name: 1,3-diisothiocyanatobenzene
IUPAC NAME: 1,3-diisothiocyanatobenzene
SYSTEMATIC NAME: 1,3-diisothiocyanatobenzene
MOLECULAR FORMULA: C8H4N2S2
MOLECULAR WEIGHT: 192.26076
SMILES: C1=CC(=CC(=C1)N=C=S)N=C=S
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Product OPENEYE NAME: dibutyl benzene-1,3-dicarboxylate
CAS Name: benzene-1,3-dicarboxylic acid dibutyl ester
IUPAC NAME: dibutyl benzene-1,3-dicarboxylate
SYSTEMATIC NAME: dibutyl benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C16H22O4
MOLECULAR WEIGHT: 278.34348
SMILES: CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC
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Product OPENEYE NAME: 2-(propoxymethyl)oxirane
CAS Name: 2-(propoxymethyl)oxirane
IUPAC NAME: 2-(propoxymethyl)oxirane
SYSTEMATIC NAME: 2-(propoxymethyl)oxirane
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCCOCC1CO1
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Product OPENEYE NAME: 5-oxohexanoic acid
CAS Name: 5-oxohexanoic acid
IUPAC NAME: 5-oxohexanoic acid
SYSTEMATIC NAME: 5-oxidanylidenehexanoic acid
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CC(=O)CCCC(=O)O
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Product OPENEYE NAME: S-phenyl 4-nitrobenzenecarbothioate
CAS Name: 4-nitrobenzenecarbothioic acid S-phenyl ester
IUPAC NAME: S-phenyl 4-nitrobenzenecarbothioate
SYSTEMATIC NAME: S-phenyl 4-nitrobenzenecarbothioate
MOLECULAR FORMULA: C13H9NO3S
MOLECULAR WEIGHT: 259.28046
SMILES: C1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: dicyclohexylammonium nitrite
CAS Name: dicyclohexylammonium nitrite
IUPAC NAME: dicyclohexylazanium nitrite
SYSTEMATIC NAME: dicyclohexylazanium nitrite
MOLECULAR FORMULA: C12H24N2O2
MOLECULAR WEIGHT: 228.33116
SMILES: C1CCC(CC1)[NH2+]C2CCCCC2.N(=O)[O-]
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Product OPENEYE NAME: bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl) hexanedioate
CAS Name: hexanedioic acid bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl) ester
IUPAC NAME: bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl) hexanedioate
SYSTEMATIC NAME: bis(7-oxabicyclo[4.1.0]heptan-4-ylmethyl) hexanedioate
MOLECULAR FORMULA: C20H30O6
MOLECULAR WEIGHT: 366.4486
SMILES: C1CC2C(O2)CC1COC(=O)CCCCC(=O)OCC3CCC4C(C3)O4
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Product OPENEYE NAME: 4-(1,3-dioxoisoindolin-2-yl)butanoic acid
CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid
IUPAC NAME: 4-(1,3-dioxoisoindol-2-yl)butanoic acid
SYSTEMATIC NAME: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid
MOLECULAR FORMULA: C12H11NO4
MOLECULAR WEIGHT: 233.22004
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O
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Product OPENEYE NAME: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium chloride
CAS Name: 9-(4-hexoxyphenyl)-10-methylacridin-10-ium chloride
IUPAC NAME: 9-(4-hexoxyphenyl)-10-methylacridin-10-ium chloride
SYSTEMATIC NAME: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium chloride
MOLECULAR FORMULA: C26H28ClNO
MOLECULAR WEIGHT: 405.95962
SMILES: CCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.[Cl-]
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Product OPENEYE NAME: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium
CAS Name: 9-(4-hexoxyphenyl)-10-methylacridin-10-ium
IUPAC NAME: 9-(4-hexoxyphenyl)-10-methylacridin-10-ium
SYSTEMATIC NAME: 9-(4-hexoxyphenyl)-10-methyl-acridin-10-ium
MOLECULAR FORMULA: C26H28NO+
MOLECULAR WEIGHT: 370.50662
SMILES: CCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C
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Product OPENEYE NAME: methyl N-[2-[4-[bis(2-chloroethyl)amino]anilino]-2-oxo-ethyl]carbamate
CAS Name: N-[2-[4-[bis(2-chloroethyl)amino]anilino]-2-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-[4-[bis(2-chloroethyl)amino]anilino]-2-oxoethyl]carbamate
SYSTEMATIC NAME: methyl N-[2-[[4-[bis(2-chloroethyl)amino]phenyl]amino]-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C14H19Cl2N3O3
MOLECULAR WEIGHT: 348.22496
SMILES: COC(=O)NCC(=O)NC1=CC=C(C=C1)N(CCCl)CCCl
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Product OPENEYE NAME: 2-acetamido-N-[4-[bis(2-chloroethyl)amino]phenyl]acetamide
CAS Name: 2-acetamido-N-[4-[bis(2-chloroethyl)amino]phenyl]acetamide
IUPAC NAME: 2-acetamido-N-[4-[bis(2-chloroethyl)amino]phenyl]acetamide
SYSTEMATIC NAME: 2-acetamido-N-[4-[bis(2-chloroethyl)amino]phenyl]ethanamide
MOLECULAR FORMULA: C14H19Cl2N3O2
MOLECULAR WEIGHT: 332.22556
SMILES: CC(=O)NCC(=O)NC1=CC=C(C=C1)N(CCCl)CCCl
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