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

Systemtic Name: phenethyl 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-nitrobenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5S/c1-15-19-21(32-20(15)23(28)31-12-11-16-5-3-2-4-6-16)24-14-25(22(19)27)13-17-7-9-18(10-8-17)26(29)30/h2-10,14H,11-13H2,1H3