N2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,2-diamine

Systemtic Name: N2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,2-diamine Openeye Name: N2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,2-diamine CAS Name: N2-[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]benzene-1,2-diamine IUPAC Name: 2-N-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,2-diamine Traditional Name: (2-aminophenyl)-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H16N6 MolecularWeight: 316.35984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC=C4N

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC=C4N

InChI

InChI=1S/C18H16N6/c1-12-6-8-13(9-7-12)24-18-14(10-22-24)17(20-11-21-18)23-16-5-3-2-4-15(16)19/h2-11H,19H2,1H3,(H,20,21,23)