6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-5-methyl-2-phenacylsulfanyl-3-(p-tolylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-2-(phenacylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-2-phenacylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-5-methyl-3-(4-methylbenzyl)-2-(phenacylthio)thieno[2,3-d]pyrimidin-4-one Formula: C25H24N2O2S2 MolecularWeight: 448.60026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H24N2O2S2/c1-4-21-17(3)22-23(31-21)26-25(30-15-20(28)19-8-6-5-7-9-19)27(24(22)29)14-18-12-10-16(2)11-13-18/h5-13H,4,14-15H2,1-3H3