6-chloranyl-N4-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pyrimidine-2,4-diamine

Systemtic Name: 6-chloranyl-N4-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pyrimidine-2,4-diamine Openeye Name: 6-chloro-N4-[1-methyl-3-[4-(m-tolyl)piperazin-1-yl]propyl]pyrimidine-2,4-diamine CAS Name: 6-chloro-N4-[4-[4-(3-methylphenyl)-1-piperazinyl]butan-2-yl]pyrimidine-2,4-diamine IUPAC Name: 6-chloro-4-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pyrimidine-2,4-diamine Traditional Name: (2-amino-6-chloro-pyrimidin-4-yl)-[1-methyl-3-[4-(m-tolyl)piperazino]propyl]amine Formula: C19H27ClN6 MolecularWeight: 374.91088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NC3=CC(=NC(=N3)N)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NC3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C19H27ClN6/c1-14-4-3-5-16(12-14)26-10-8-25(9-11-26)7-6-15(2)22-18-13-17(20)23-19(21)24-18/h3-5,12-13,15H,6-11H2,1-2H3,(H3,21,22,23,24)