methyl 6-methyl-2-oxidanylidene-4-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-2-oxidanylidene-4-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-2-oxo-4-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-(3-phenoxypropylthio)-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-oxo-4-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(3-phenoxypropylthio)-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCCOC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCCOC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H18N2O4S/c1-11-13(15(19)21-2)14(18-16(20)17-11)23-10-6-9-22-12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,18,20)