N6-(4,5-dimethyl-1,3-thiazol-2-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4,5-dimethyl-1,3-thiazol-2-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4,5-dimethylthiazol-2-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4,5-dimethyl-2-thiazolyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C14H20N8O2S MolecularWeight: 364.426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C14H20N8O2S/c1-9-10(2)25-14(17-9)18-12-11(22(23)24)13(16-8-15-12)19-21-6-4-20(3)5-7-21/h8H,4-7H2,1-3H3,(H2,15,16,17,18,19)