4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)-N-[(3-methylphenyl)methyl]benzamide

Systemtic Name: 4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)-N-[(3-methylphenyl)methyl]benzamide Openeye Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-(m-tolylmethyl)benzamide CAS Name: 4-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)-N-[(3-methylphenyl)methyl]benzamide IUPAC Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-[(3-methylphenyl)methyl]benzamide Traditional Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N-(3-methylbenzyl)benzamide Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N

InChI

InChI=1S/C20H18N6O/c1-13-3-2-4-14(9-13)10-22-20(27)15-5-7-16(8-6-15)26-19-17(11-25-26)18(21)23-12-24-19/h2-9,11-12H,10H2,1H3,(H,22,27)(H2,21,23,24)