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

Systemtic Name: phenethyl 3-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[2-(4-butoxycarbonylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-butoxycarbonylanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C29H29N3O6S MolecularWeight: 547.62206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C29H29N3O6S/c1-3-4-15-37-28(35)21-10-12-22(13-11-21)31-23(33)17-32-18-30-26-24(27(32)34)19(2)25(39-26)29(36)38-16-14-20-8-6-5-7-9-20/h5-13,18H,3-4,14-17H2,1-2H3,(H,31,33)