ethyl 1-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(dibenzylamino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-[bis(phenylmethyl)amino]-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(dibenzylamino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(dibenzylamino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H29N3O4S MolecularWeight: 527.63396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C30H29N3O4S/c1-2-37-29(36)26-18-31-30(38-22-25-16-10-5-11-17-25)33(28(26)35)21-27(34)32(19-23-12-6-3-7-13-23)20-24-14-8-4-9-15-24/h3-18H,2,19-22H2,1H3