N4-(1,3-benzothiazol-2-yl)-N6-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H14N6O2S MolecularWeight: 378.40776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O2S/c1-11-5-4-6-12(9-11)21-16-15(24(25)26)17(20-10-19-16)23-18-22-13-7-2-3-8-14(13)27-18/h2-10H,1H3,(H2,19,20,21,22,23)