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

Systemtic Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: isoamyl-[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H20N6O3S MolecularWeight: 388.4441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C17H20N6O3S/c1-10(2)6-7-18-15-14(23(24)25)16(20-9-19-15)22-17-21-12-5-4-11(26-3)8-13(12)27-17/h4-5,8-10H,6-7H2,1-3H3,(H2,18,19,20,21,22)