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

Systemtic Name: (phenylmethyl) 3-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-[2-(cyclopentylamino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(cyclopentylamino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3CCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3CCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S/c1-14-18-20(30-19(14)22(28)29-12-15-7-3-2-4-8-15)23-13-25(21(18)27)11-17(26)24-16-9-5-6-10-16/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,24,26)