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

Systemtic Name: phenethyl 5-methyl-3-(2-methylprop-2-enyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-(2-methylallyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-(2-methylprop-2-enyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-(2-methylprop-2-enyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(2-methylallyl)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-13(2)11-22-12-21-18-16(19(22)23)14(3)17(26-18)20(24)25-10-9-15-7-5-4-6-8-15/h4-8,12H,1,9-11H2,2-3H3