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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H21ClN6O2 MolecularWeight: 424.88344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN6O2/c22-17-7-4-8-18(13-17)26-9-11-27(12-10-26)21-19(28(29)30)20(24-15-25-21)23-14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,23,24,25)