1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]-5-phenylazanyl-pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]-5-phenylazanyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-anilino-1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-anilino-1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(1-methyl-2-pyrrolidinyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-anilino-1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-anilino-3-methyl-6-[4-(1-methylpyrrolidin-2-yl)benzyl]-1-neopentyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C30H37N5O2 MolecularWeight: 499.64708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=CN(C(=C2C(=O)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCN5C

Isomeric SMILES

CC(C)(C)CN1C2=CN(C(=C2C(=O)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCN5C

InChI

InChI=1S/C30H37N5O2/c1-30(2,3)20-35-25-19-34(18-21-13-15-22(16-14-21)24-12-9-17-32(24)4)27(31-23-10-7-6-8-11-23)26(25)28(36)33(5)29(35)37/h6-8,10-11,13-16,19,24,31H,9,12,17-18,20H2,1-5H3