5-methyl-7-(oxetan-2-ylmethyl)-3-phenylazanyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 5-methyl-7-(oxetan-2-ylmethyl)-3-phenylazanyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 3-anilino-5-methyl-7-(oxetan-2-ylmethyl)-2-[[4-(2-pyridyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 3-anilino-5-methyl-7-(2-oxetanylmethyl)-2-[[4-(2-pyridinyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 3-anilino-5-methyl-7-(oxetan-2-ylmethyl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 3-anilino-5-methyl-7-(oxetan-2-ylmethyl)-2-[4-(2-pyridyl)benzyl]pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N(N=C2N(C1=O)CC3CCO3)CC4=CC=C(C=C4)C5=CC=CC=N5)NC6=CC=CC=C6

Isomeric SMILES

CN1C(=O)C2=C(N(N=C2N(C1=O)CC3CCO3)CC4=CC=C(C=C4)C5=CC=CC=N5)NC6=CC=CC=C6

InChI

InChI=1S/C28H26N6O3/c1-32-27(35)24-25(30-21-7-3-2-4-8-21)34(31-26(24)33(28(32)36)18-22-14-16-37-22)17-19-10-12-20(13-11-19)23-9-5-6-15-29-23/h2-13,15,22,30H,14,16-18H2,1H3