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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(3-chlorophenyl)piperazino]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C20H22ClN7 MolecularWeight: 395.88858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C20H22ClN7/c21-16-4-1-5-17(11-16)27-7-9-28(10-8-27)20-18(22)19(25-14-26-20)24-13-15-3-2-6-23-12-15/h1-6,11-12,14H,7-10,13,22H2,(H,24,25,26)