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

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H20N6O2S MolecularWeight: 336.4126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O2S/c1-8(2)5-6-15-12-11(20(21)22)13(17-7-16-12)19-14-18-9(3)10(4)23-14/h7-8H,5-6H2,1-4H3,(H2,15,16,17,18,19)