methyl 6-methyl-4-[2-(1-naphthalen-2-ylethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-4-[2-(1-naphthalen-2-ylethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-4-[2-[1-(2-naphthyl)ethylamino]-2-oxo-ethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[[2-[1-(2-naphthalenyl)ethylamino]-2-oxoethyl]thio]-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-[[2-keto-2-[1-(2-naphthyl)ethylamino]ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NC(C)C2=CC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NC(C)C2=CC3=CC=CC=C3C=C2)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-12(15-9-8-14-6-4-5-7-16(14)10-15)22-17(25)11-29-19-18(20(26)28-3)13(2)23-21(27)24-19/h4-10,12H,11H2,1-3H3,(H,22,25)(H,23,24,27)