N-(3-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(3-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(m-tolyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(3-methylphenyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(3-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: m-tolyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C21H22N6O2 MolecularWeight: 390.43838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O2/c1-16-6-5-7-17(14-16)24-20-19(27(28)29)21(23-15-22-20)26-12-10-25(11-13-26)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3,(H,22,23,24)