4-[2-(dimethylamino)phenyl]-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(dimethylamino)phenyl]-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-[2-(dimethylamino)phenyl]-3-ethyl-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-[2-(dimethylamino)phenyl]-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-[2-(dimethylamino)phenyl]-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-[2-(dimethylamino)phenyl]-3-ethyl-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC=CC=C2N(C)C

Isomeric SMILES

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC=CC=C2N(C)C

InChI

InChI=1S/C16H21N3O2S/c1-5-19-14(11-8-6-7-9-12(11)18(3)4)13(15(20)21)10(2)17-16(19)22/h6-9,14H,5H2,1-4H3,(H,17,22)(H,20,21)