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

Systemtic Name: methyl 2-methyl-4-oxidanylidene-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-[2-(benzylamino)-2-oxo-ethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-methyl-4-oxo-5-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(benzylamino)-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-[2-(benzylamino)-2-keto-ethyl]-4-keto-2-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(S2)C(=O)OC)CC(=O)NCC3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC1=NC2=C(C(=C(S2)C(=O)OC)CC(=O)NCC3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H17N3O4S/c1-10-20-16(23)14-12(15(18(24)25-2)26-17(14)21-10)8-13(22)19-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21,23)