ethyl 5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O4S2/c1-3-34-26(33)23-18(2)22-24(36-23)29-27(30(25(22)32)15-14-19-10-6-4-7-11-19)35-17-21(31)28-16-20-12-8-5-9-13-20/h4-13H,3,14-17H2,1-2H3,(H,28,31)