N4-(4-chlorophenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine

Systemtic Name: N4-(4-chlorophenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine Openeye Name: N4-(4-chlorophenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine CAS Name: N4-(4-chlorophenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-chlorophenyl)-6-(4-methyl-1,4-diazepan-1-yl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-(4-chlorophenyl)amine Formula: C16H21ClN6 MolecularWeight: 332.83114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H21ClN6/c1-22-7-2-8-23(10-9-22)15-11-14(20-16(18)21-15)19-13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H3,18,19,20,21)