5-(4-methylphenyl)-2-(3-phenoxypropylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-(3-phenoxypropylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(3-phenoxypropylsulfanyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(3-phenoxypropylthio)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-(3-phenoxypropylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(3-phenoxypropylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C25H24N2O2S2 MolecularWeight: 448.60026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCOC4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCOC4=CC=CC=C4)CC=C

InChI

InChI=1S/C25H24N2O2S2/c1-3-14-27-24(28)22-21(19-12-10-18(2)11-13-19)17-31-23(22)26-25(27)30-16-7-15-29-20-8-5-4-6-9-20/h3-6,8-13,17H,1,7,14-16H2,2H3