(2,6-ditert-butyl-4-methyl-cyclohexyl) 2-azanyl-7-(4-chlorophenyl)-3-ethanoyl-4-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-azanyl-7-(4-chlorophenyl)-3-ethanoyl-4-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 3-acetyl-2-amino-7-(4-chlorophenyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 3-acetyl-2-amino-7-(4-chlorophenyl)-4-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) 3-acetyl-2-amino-7-(4-chlorophenyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 3-acetyl-2-amino-7-(4-chlorophenyl)-4-keto-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C31H40ClN3O4 MolecularWeight: 554.12

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40ClN3O4/c1-16-13-21(30(3,4)5)25(22(14-16)31(6,7)8)39-29(38)24-20(18-9-11-19(32)12-10-18)15-35-27(24)34-26(33)23(17(2)36)28(35)37/h9-12,15-16,21-22,25,34H,13-14,33H2,1-8H3