N-(4-methoxyphenyl)-4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzamide CAS Name: N-(4-methoxyphenyl)-4-[(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzamide Traditional Name: 4-[(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-N-(4-methoxyphenyl)benzamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N5O3/c1-25-19-18(11-23-25)21(28)26(13-22-19)12-14-3-5-15(6-4-14)20(27)24-16-7-9-17(29-2)10-8-16/h3-11,13H,12H2,1-2H3,(H,24,27)