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

Systemtic Name: N6-(4,5-dimethyl-1,3-thiazol-2-yl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4,5-dimethylthiazol-2-yl)-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4,5-dimethyl-2-thiazolyl)-N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C16H23N7O2S MolecularWeight: 377.46452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N7O2S/c1-10-11(2)26-16(19-10)20-14-13(23(24)25)15(18-9-17-14)22(4)12-5-7-21(3)8-6-12/h9,12H,5-8H2,1-4H3,(H,17,18,19,20)