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

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-5-nitro-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amine Formula: C12H16N6O2S MolecularWeight: 308.35944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC=CS2

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC=CS2

InChI

InChI=1S/C12H16N6O2S/c1-8(2)3-4-13-10-9(18(19)20)11(16-7-15-10)17-12-14-5-6-21-12/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16,17)