phenethyl 5-methyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-allyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-prop-2-enyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-allyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC=C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC=C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-3-10-21-12-20-17-15(18(21)22)13(2)16(25-17)19(23)24-11-9-14-7-5-4-6-8-14/h3-8,12H,1,9-11H2,2H3