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

Systemtic Name: N6-(5-chloranyl-2-methyl-phenyl)-N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2-methyl-phenyl)-N4-(4,5-dimethylthiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2-methylphenyl)-N4-(4,5-dimethyl-2-thiazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloro-2-methylphenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(4,5-dimethylthiazol-2-yl)amine Formula: C16H15ClN6O2S MolecularWeight: 390.8473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NC3=NC(=C(S3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NC3=NC(=C(S3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN6O2S/c1-8-4-5-11(17)6-12(8)21-14-13(23(24)25)15(19-7-18-14)22-16-20-9(2)10(3)26-16/h4-7H,1-3H3,(H2,18,19,20,21,22)