6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N,N-bis(phenylmethyl)pyrimidin-4-amine Openeye Name: N,N-dibenzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-N,N-bis(phenylmethyl)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C28H27ClN6O2 MolecularWeight: 515.00598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27ClN6O2/c29-24-12-7-13-25(18-24)32-14-16-33(17-15-32)27-26(35(36)37)28(31-21-30-27)34(19-22-8-3-1-4-9-22)20-23-10-5-2-6-11-23/h1-13,18,21H,14-17,19-20H2