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

Systemtic Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C17H13N7O3S MolecularWeight: 395.39522

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C17H13N7O3S/c1-27-11-4-5-12-13(7-11)28-17(22-12)23-16-14(24(25)26)15(19-9-20-16)21-10-3-2-6-18-8-10/h2-9H,1H3,(H2,19,20,21,22,23)