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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(5-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-[(5-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H13N7O2S MolecularWeight: 379.39582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N7O2S/c1-10-6-7-13(18-8-10)22-15-14(24(25)26)16(20-9-19-15)23-17-21-11-4-2-3-5-12(11)27-17/h2-9H,1H3,(H2,18,19,20,21,22,23)