5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[4-(3-chlorophenyl)piperazino]methyl]pyrimidin-4-yl]amine Formula: C15H19ClN6 MolecularWeight: 318.80456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=C(N=C2N)N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CN=C(N=C2N)N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H19ClN6/c16-12-2-1-3-13(8-12)22-6-4-21(5-7-22)10-11-9-19-15(18)20-14(11)17/h1-3,8-9H,4-7,10H2,(H4,17,18,19,20)