N-(2-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(2-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(o-tolyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(2-methylphenyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(2-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-(o-tolyl)amine Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

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