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

Systemtic Name: ethyl 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-bromo-2-thiophenyl)methyl-methylamino]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O4S/c1-3-25-17(23)15-12(10-22(2)9-11-6-7-14(19)27-11)20-18(24)21-16(15)13-5-4-8-26-13/h4-8,16H,3,9-10H2,1-2H3,(H2,20,21,24)