N4-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,4-diamine

Systemtic Name: N4-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,4-diamine Openeye Name: N4-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,4-diamine CAS Name: N4-[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]benzene-1,4-diamine IUPAC Name: 4-N-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzene-1,4-diamine Traditional Name: (4-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=C(C=C4)N

Isomeric SMILES

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

InChI

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