phenethyl 5-methyl-3-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-3-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-[2-(1-naphthylamino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(1-naphthalenylamino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(1-naphthylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O4S/c1-18-24-26(36-25(18)28(34)35-15-14-19-8-3-2-4-9-19)29-17-31(27(24)33)16-23(32)30-22-13-7-11-20-10-5-6-12-21(20)22/h2-13,17H,14-16H2,1H3,(H,30,32)