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

Systemtic Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(5-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[6-[(5-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H15N7O2S MolecularWeight: 393.4224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O2S/c1-10-6-7-13(19-8-10)22-16-15(25(26)27)17(21-9-20-16)24-18-23-14-11(2)4-3-5-12(14)28-18/h3-9H,1-2H3,(H2,19,20,21,22,23,24)