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

Systemtic Name: N4,N4-diethyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N4-diethyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N4-diethyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-diethyl-6-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: diethyl-[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O3S/c1-4-21(5-2)15-13(22(23)24)14(17-9-18-15)20-16-19-11-7-6-10(25-3)8-12(11)26-16/h6-9H,4-5H2,1-3H3,(H,17,18,19,20)