N3-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,3-diamine

Systemtic Name: N3-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,3-diamine Openeye Name: N3-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,3-diamine CAS Name: N3-[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]benzene-1,3-diamine IUPAC Name: 3-N-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,3-diamine Traditional Name: (3-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(=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)N

InChI

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