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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H19N7O3S MolecularWeight: 401.44286

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H19N7O3S/c25-24(26)14-15(18-5-6-23-7-9-27-10-8-23)19-11-20-16(14)22-17-21-12-3-1-2-4-13(12)28-17/h1-4,11H,5-10H2,(H2,18,19,20,21,22)