N6-(3-chloranyl-4-methyl-phenyl)-N4,N4-dimethyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: N6-(3-chloranyl-4-methyl-phenyl)-N4,N4-dimethyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzylpiperazin-1-yl)-N6-(3-chloro-4-methyl-phenyl)-N4,N4-dimethyl-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-methylphenyl)-N4,N4-dimethyl-2-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine Traditional Name: [2-(4-benzylpiperazino)-6-(3-chloro-4-methyl-anilino)pyrimidin-4-yl]-dimethyl-amine Formula: C24H29ClN6 MolecularWeight: 436.98026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)N(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)N(C)C)Cl

InChI

InChI=1S/C24H29ClN6/c1-18-9-10-20(15-21(18)25)26-22-16-23(29(2)3)28-24(27-22)31-13-11-30(12-14-31)17-19-7-5-4-6-8-19/h4-10,15-16H,11-14,17H2,1-3H3,(H,26,27,28)