N3-(3-chlorophenyl)-N4-(3-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine hydrochloride

Systemtic Name: N3-(3-chlorophenyl)-N4-(3-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine hydrochloride Openeye Name: N3-(3-chlorophenyl)-N4-(m-tolyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine hydrochloride CAS Name: N3-(3-chlorophenyl)-N4-(3-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine hydrochloride IUPAC Name: 3-N-(3-chlorophenyl)-4-N-(3-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine hydrochloride Traditional Name: [3-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-(m-tolyl)amine hydrochloride Formula: C18H16Cl2N6 MolecularWeight: 387.26584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=NNC(=C32)NC4=CC(=CC=C4)Cl.Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=NNC(=C32)NC4=CC(=CC=C4)Cl.Cl

InChI

InChI=1S/C18H15ClN6.ClH/c1-11-4-2-6-13(8-11)22-16-15-17(21-10-20-16)24-25-18(15)23-14-7-3-5-12(19)9-14;/h2-10H,1H3,(H3,20,21,22,23,24,25);1H