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

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-azanyl-7-(4-chlorophenyl)-4-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-amino-7-(4-chlorophenyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 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) 2-amino-7-(4-chlorophenyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 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: C29H38ClN3O3 MolecularWeight: 512.08332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38ClN3O3/c1-16-12-20(28(2,3)4)25(21(13-16)29(5,6)7)36-27(35)24-19(17-8-10-18(30)11-9-17)15-33-23(34)14-22(31)32-26(24)33/h8-11,14-16,20-21,25,32H,12-13,31H2,1-7H3