ethyl 4-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-[[2-keto-2-(m-anisylamino)ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NCC2=CC(=CC=C2)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NCC2=CC(=CC=C2)OC)C

InChI

InChI=1S/C18H21N3O5S/c1-4-26-17(23)15-11(2)20-18(24)21-16(15)27-10-14(22)19-9-12-6-5-7-13(8-12)25-3/h5-8H,4,9-10H2,1-3H3,(H,19,22)(H,20,21,24)