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

Systemtic Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C16H18N6O4S/c1-25-7-3-6-17-14-13(22(23)24)15(19-9-18-14)21-16-20-11-5-4-10(26-2)8-12(11)27-16/h4-5,8-9H,3,6-7H2,1-2H3,(H2,17,18,19,20,21)