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

Systemtic Name: N6-(5-chloranyl-2-methyl-phenyl)-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2-methyl-phenyl)-5-nitro-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2-methylphenyl)-5-nitro-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloro-2-methylphenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C14H11ClN6O2S MolecularWeight: 362.79414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN6O2S/c1-8-2-3-9(15)6-10(8)19-12-11(21(22)23)13(18-7-17-12)20-14-16-4-5-24-14/h2-7H,1H3,(H2,16,17,18,19,20)