N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropylphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1-piperazinyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(4-methylpiperazino)amine Formula: C18H25N7O2 MolecularWeight: 371.4368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O2/c1-13(2)14-4-6-15(7-5-14)21-17-16(25(26)27)18(20-12-19-17)22-24-10-8-23(3)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H2,19,20,21,22)