6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C27H27N7O3 MolecularWeight: 497.54838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C27H27N7O3/c1-37-23-12-10-22(11-13-23)31-15-17-32(18-16-31)26-25(34(35)36)27(30-20-29-26)33(24-9-5-6-14-28-24)19-21-7-3-2-4-8-21/h2-14,20H,15-19H2,1H3