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

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N-(3-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O3/c1-16-4-3-5-17(14-16)25-21-20(28(29)30)22(24-15-23-21)27-12-10-26(11-13-27)18-6-8-19(31-2)9-7-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)