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

Systemtic Name: N6-(2-chloranylpyridin-3-yl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-chloro-3-pyridyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-chloro-3-pyridinyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-chloropyridin-3-yl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chloro-3-pyridyl)-[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H12ClN7O3S MolecularWeight: 429.84028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=C(N=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C17H12ClN7O3S/c1-28-9-4-5-10-12(7-9)29-17(23-10)24-16-13(25(26)27)15(20-8-21-16)22-11-3-2-6-19-14(11)18/h2-8H,1H3,(H2,20,21,22,23,24)