N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H23N7O3S MolecularWeight: 393.46392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N7O3S/c1-11-12(2)27-16(20-11)21-15-13(23(24)25)14(18-10-19-15)17-4-3-5-22-6-8-26-9-7-22/h10H,3-9H2,1-2H3,(H2,17,18,19,20,21)