4-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(ethylamino)-1-oxopropan-2-yl]thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(ethylamino)-2-keto-1-methyl-ethyl]thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC(=NC(=C1C(=O)O)C)C(C)C

Isomeric SMILES

CCNC(=O)C(C)SC1=NC(=NC(=C1C(=O)O)C)C(C)C

InChI

InChI=1S/C14H21N3O3S/c1-6-15-12(18)9(5)21-13-10(14(19)20)8(4)16-11(17-13)7(2)3/h7,9H,6H2,1-5H3,(H,15,18)(H,19,20)