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

Systemtic Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N6-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]amine Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O3S/c1-11-5-3-4-6-13(11)22-17-16(25(26)27)18(21-10-20-17)24-19-23-14-8-7-12(28-2)9-15(14)29-19/h3-10H,1-2H3,(H2,20,21,22,23,24)