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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

InChI

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