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

Systemtic Name: 2-(4-phenoxybutylsulfanyl)-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(4-phenoxybutylsulfanyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-phenoxybutylthio)-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(4-phenoxybutylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(4-phenoxybutylthio)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H24N2O2S2 MolecularWeight: 448.60026

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCCCOC3=CC=CC=C3)SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCCCOC3=CC=CC=C3)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S2/c1-2-15-27-24(28)22-21(19-11-5-3-6-12-19)18-31-23(22)26-25(27)30-17-10-9-16-29-20-13-7-4-8-14-20/h2-8,11-14,18H,1,9-10,15-17H2