N2-[(4-chlorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N2-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(4-chlorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperazino)-5-nitro-pyrimidin-2-yl]-(4-chlorobenzyl)amine Formula: C22H24ClN7O2 MolecularWeight: 453.92466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=C(C=C4)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCC4=CC=C(C=C4)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN7O2/c23-18-8-6-16(7-9-18)14-25-22-26-20(24)19(30(31)32)21(27-22)29-12-10-28(11-13-29)15-17-4-2-1-3-5-17/h1-9H,10-15H2,(H3,24,25,26,27)