5-methyl-7-(2-methylpropyl)-3-phenylazanyl-2-[(4-piperidin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 5-methyl-7-(2-methylpropyl)-3-phenylazanyl-2-[(4-piperidin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 3-anilino-7-isobutyl-5-methyl-2-[[4-(2-piperidyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(2-piperidinyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-piperidin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 3-anilino-7-isobutyl-5-methyl-2-[4-(2-piperidyl)benzyl]pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C28H34N6O2 MolecularWeight: 486.60856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NN(C(=C2C(=O)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCN5

Isomeric SMILES

CC(C)CN1C2=NN(C(=C2C(=O)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCN5

InChI

InChI=1S/C28H34N6O2/c1-19(2)17-33-26-24(27(35)32(3)28(33)36)25(30-22-9-5-4-6-10-22)34(31-26)18-20-12-14-21(15-13-20)23-11-7-8-16-29-23/h4-6,9-10,12-15,19,23,29-30H,7-8,11,16-18H2,1-3H3