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

Systemtic Name: (phenylmethyl) 3-(2-azanyl-2-oxidanylidene-ethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-(2-amino-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-amino-2-oxoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S/c1-10-13-15(19-9-20(16(13)22)7-12(18)21)25-14(10)17(23)24-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,21)