methyl 4-methyl-2-oxidanylidene-3-propyl-6-[3-(thiophen-2-ylcarbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-2-oxidanylidene-3-propyl-6-[3-(thiophen-2-ylcarbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-methyl-2-oxo-3-propyl-6-[3-(thiophene-2-carbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-oxo-3-propyl-6-[3-(thiophene-2-carbonylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-methyl-3-propyl-6-[3-(2-thenoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C(=O)OC)C

InChI

InChI=1S/C21H23N3O4S/c1-4-10-24-13(2)17(20(26)28-3)18(23-21(24)27)14-7-5-8-15(12-14)22-19(25)16-9-6-11-29-16/h5-9,11-12,18H,4,10H2,1-3H3,(H,22,25)(H,23,27)