(2,6-ditert-butyl-4-methyl-cyclohexyl) 4-azanyl-7-(4-methylphenyl)-6-methylsulfanyl-2-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 4-azanyl-7-(4-methylphenyl)-6-methylsulfanyl-2-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 4-amino-6-methylsulfanyl-2-oxo-7-(p-tolyl)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 4-amino-7-(4-methylphenyl)-6-(methylthio)-2-oxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 4-amino-7-(4-methylphenyl)-6-methylsulfanyl-2-oxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 4-amino-2-keto-6-(methylthio)-7-(p-tolyl)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C31H43N3O3S MolecularWeight: 537.75642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3NC(=O)C=C(N3C(=C2C4=CC=C(C=C4)C)SC)N)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3NC(=O)C=C(N3C(=C2C4=CC=C(C=C4)C)SC)N)C(C)(C)C

InChI

InChI=1S/C31H43N3O3S/c1-17-10-12-19(13-11-17)24-25(27-33-23(35)16-22(32)34(27)28(24)38-9)29(36)37-26-20(30(3,4)5)14-18(2)15-21(26)31(6,7)8/h10-13,16,18,20-21,26H,14-15,32H2,1-9H3,(H,33,35)