phenethyl 5-methyl-3-(naphthalen-1-ylmethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-3-(naphthalen-1-ylmethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-(1-naphthylmethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-(1-naphthalenylmethyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-(naphthalen-1-ylmethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(1-naphthylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C27H22N2O3S MolecularWeight: 454.54018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O3S/c1-18-23-25(33-24(18)27(31)32-15-14-19-8-3-2-4-9-19)28-17-29(26(23)30)16-21-12-7-11-20-10-5-6-13-22(20)21/h2-13,17H,14-16H2,1H3