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

Systemtic Name: N4-cycloheptyl-N6-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-(4,5-dimethylthiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(4,5-dimethyl-2-thiazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H22N6O2S/c1-10-11(2)25-16(19-10)21-15-13(22(23)24)14(17-9-18-15)20-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H2,17,18,19,20,21)