2-[(3-phenoxyphenyl)methylsulfanyl]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one hydrochloride

Systemtic Name: 2-[(3-phenoxyphenyl)methylsulfanyl]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one hydrochloride Openeye Name: 2-[(3-phenoxyphenyl)methylsulfanyl]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one hydrochloride CAS Name: 2-[(3-phenoxyphenyl)methylthio]-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone hydrochloride IUPAC Name: 2-[(3-phenoxyphenyl)methylsulfanyl]-3,5-diphenylthieno[2,3-d]pyrimidin-4-one hydrochloride Traditional Name: 2-[(3-phenoxybenzyl)thio]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one hydrochloride Formula: C31H23ClN2O2S2 MolecularWeight: 555.10952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)OC5=CC=CC=C5)C6=CC=CC=C6.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)OC5=CC=CC=C5)C6=CC=CC=C6.Cl

InChI

InChI=1S/C31H22N2O2S2.ClH/c34-30-28-27(23-12-4-1-5-13-23)21-36-29(28)32-31(33(30)24-14-6-2-7-15-24)37-20-22-11-10-18-26(19-22)35-25-16-8-3-9-17-25;/h1-19,21H,20H2;1H