ethyl 4-[(4-methylpiperidin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-methylpiperidin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(4-methyl-1-piperidyl)methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-methyl-1-piperidinyl)methyl]-2-oxo-3-prop-2-enyl-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylpiperidin-1-yl)methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(4-methylpiperidino)methyl]-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCC(CC3)C

InChI

InChI=1S/C21H29N3O3S/c1-4-9-24-17(13-23-10-6-15(3)7-11-23)18(20(25)27-5-2)19(22-21(24)26)16-8-12-28-14-16/h4,8,12,14-15,19H,1,5-7,9-11,13H2,2-3H3,(H,22,26)