N4-tert-butyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-tert-butyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-tert-butyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-tert-butyl-6-[4-(3-chlorophenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-tert-butyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(3-chlorophenyl)piperazino]pyrimidin-4-yl]-tert-butyl-amine Formula: C18H25ClN6 MolecularWeight: 360.8843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1N)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1N)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H25ClN6/c1-18(2,3)23-16-15(20)17(22-12-21-16)25-9-7-24(8-10-25)14-6-4-5-13(19)11-14/h4-6,11-12H,7-10,20H2,1-3H3,(H,21,22,23)