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

Systemtic Name: 2-[4-(2-methylphenoxy)butylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[4-(2-methylphenoxy)butylsulfanyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(2-methylphenoxy)butylthio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[4-(2-methylphenoxy)butylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[4-(2-methylphenoxy)butylthio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C27H28N2O2S2 MolecularWeight: 476.65342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCCOC4=CC=CC=C4C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCCOC4=CC=CC=C4C)CC=C

InChI

InChI=1S/C27H28N2O2S2/c1-4-15-29-26(30)24-22(21-13-11-19(2)12-14-21)18-33-25(24)28-27(29)32-17-8-7-16-31-23-10-6-5-9-20(23)3/h4-6,9-14,18H,1,7-8,15-17H2,2-3H3