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

Systemtic Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H23N7O3S MolecularWeight: 429.49602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O3S/c1-13-3-4-14-15(11-13)30-19(23-14)24-18-16(26(27)28)17(21-12-22-18)20-5-2-6-25-7-9-29-10-8-25/h3-4,11-12H,2,5-10H2,1H3,(H2,20,21,22,23,24)