4-azanyl-7-(2,2-dimethylpropyl)-5-methyl-3-phenylimino-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-one

Systemtic Name: 4-azanyl-7-(2,2-dimethylpropyl)-5-methyl-3-phenylimino-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-one Openeye Name: 4-amino-7-(2,2-dimethylpropyl)-5-methyl-3-phenylimino-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-one CAS Name: 4-amino-7-(2,2-dimethylpropyl)-5-methyl-3-phenylimino-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-6-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 4-amino-7-(2,2-dimethylpropyl)-5-methyl-3-phenylimino-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-one Traditional Name: 4-amino-5-methyl-7-neopentyl-3-phenylimino-2-[4-(1,2,4-triazol-1-yl)benzyl]pyrazolo[3,4-d]pyrimidin-6-one Formula: C26H29N9O MolecularWeight: 483.56816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=NN(C(=NC3=CC=CC=C3)C2=C(N(C1=O)C)N)CC4=CC=C(C=C4)N5C=NC=N5

Isomeric SMILES

CC(C)(C)CN1C2=NN(C(=NC3=CC=CC=C3)C2=C(N(C1=O)C)N)CC4=CC=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C26H29N9O/c1-26(2,3)15-33-24-21(22(27)32(4)25(33)36)23(30-19-8-6-5-7-9-19)34(31-24)14-18-10-12-20(13-11-18)35-17-28-16-29-35/h5-13,16-17H,14-15,27H2,1-4H3