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

Systemtic Name: phenethyl 3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-oxo-3-[2-oxo-2-(sec-butylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(butan-2-ylamino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[2-(butan-2-ylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(sec-butylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCC(C)NC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O4S/c1-4-14(2)24-17(26)12-25-13-23-20-18(21(25)27)15(3)19(30-20)22(28)29-11-10-16-8-6-5-7-9-16/h5-9,13-14H,4,10-12H2,1-3H3,(H,24,26)