ethyl 6-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN(CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN(CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H22ClN3O4S/c1-3-9-24(11-13-7-8-16(21)29-13)12-14-17(19(25)27-4-2)18(23-20(26)22-14)15-6-5-10-28-15/h3,5-8,10,18H,1,4,9,11-12H2,2H3,(H2,22,23,26)