N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1-piperazinyl)-5-nitro-N6-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O2/c1-13(14-6-4-3-5-7-14)20-16-15(24(25)26)17(19-12-18-16)21-23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H2,18,19,20,21)