2-[1-(4-methoxyphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[1-(4-methoxyphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[1-(4-methoxyphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: 2-[1-(4-methoxyphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-benzyl-2-[4-keto-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c1-29-17-9-7-16(8-10-17)26-20-18(12-24-26)21(28)25(14-23-20)13-19(27)22-11-15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3,(H,22,27)