5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(phenethylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17N3O4S/c1-11-14-16(26-15(11)18(24)25)20-10-21(17(14)23)9-13(22)19-8-7-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,19,22)(H,24,25)