6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C28H29N7O2 MolecularWeight: 495.57556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-])C

InChI

InChI=1S/C28H29N7O2/c1-21-9-8-12-24(22(21)2)32-15-17-33(18-16-32)27-26(35(36)37)28(31-20-30-27)34(25-13-6-7-14-29-25)19-23-10-4-3-5-11-23/h3-14,20H,15-19H2,1-2H3