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

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-azanyl-4-oxidanylidene-6-phenyl-6H-pyrrolo[1,2-a]pyrimidine-7-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-amino-4-oxo-6-phenyl-6H-pyrrolo[1,2-a]pyrimidine-7-carboxylate CAS Name: 2-amino-4-oxo-6-phenyl-6H-pyrrolo[1,2-a]pyrimidine-7-carboxylic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-amino-4-oxo-6-phenyl-6H-pyrrolo[1,2-a]pyrimidine-7-carboxylate Traditional Name: 2-amino-4-keto-6-phenyl-6H-pyrrolo[1,2-a]pyrimidine-7-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=CC3=NC(=CC(=O)N3C2C4=CC=CC=C4)N)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=CC3=NC(=CC(=O)N3C2C4=CC=CC=C4)N)C(C)(C)C

InChI

InChI=1S/C29H39N3O3/c1-17-13-20(28(2,3)4)26(21(14-17)29(5,6)7)35-27(34)19-15-23-31-22(30)16-24(33)32(23)25(19)18-11-9-8-10-12-18/h8-12,15-17,20-21,25-26H,13-14,30H2,1-7H3