ethyl 4-(5-methylfuran-2-yl)-2-oxidanylidene-6-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(5-methylfuran-2-yl)-2-oxidanylidene-6-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(5-methyl-2-furyl)-2-oxo-6-[[2-(2-thienyl)pyrrolidin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(5-methyl-2-furanyl)-2-oxo-6-[(2-thiophen-2-yl-1-pyrrolidinyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-methylfuran-2-yl)-2-oxo-6-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(5-methyl-2-furyl)-6-[[2-(2-thienyl)pyrrolidino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)CN3CCCC3C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)CN3CCCC3C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S/c1-3-27-20(25)18-14(12-24-10-4-6-15(24)17-7-5-11-29-17)22-21(26)23-19(18)16-9-8-13(2)28-16/h5,7-9,11,15,19H,3-4,6,10,12H2,1-2H3,(H2,22,23,26)