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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H14N6O3S MolecularWeight: 346.36436

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H14N6O3S/c1-23-7-6-15-12-11(20(21)22)13(17-8-16-12)19-14-18-9-4-2-3-5-10(9)24-14/h2-5,8H,6-7H2,1H3,(H2,15,16,17,18,19)