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

Systemtic Name: (phenylmethyl) 5-methyl-3-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-3-[2-(2-naphthylamino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(2-naphthalenylamino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-3-[2-(naphthalen-2-ylamino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(2-naphthylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC4=CC=CC=C4C=C3)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC4=CC=CC=C4C=C3)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O4S/c1-17-23-25(35-24(17)27(33)34-15-18-7-3-2-4-8-18)28-16-30(26(23)32)14-22(31)29-21-12-11-19-9-5-6-10-20(19)13-21/h2-13,16H,14-15H2,1H3,(H,29,31)