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

Systemtic Name: 2-[4-(2-methylphenoxy)butylsulfanyl]-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[4-(2-methylphenoxy)butylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(2-methylphenoxy)butylthio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[4-(2-methylphenoxy)butylsulfanyl]-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[4-(2-methylphenoxy)butylthio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H26N2O2S2 MolecularWeight: 462.62684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCCSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CC1=CC=CC=C1OCCCCSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C26H26N2O2S2/c1-3-15-28-25(29)23-21(20-12-5-4-6-13-20)18-32-24(23)27-26(28)31-17-10-9-16-30-22-14-8-7-11-19(22)2/h3-8,11-14,18H,1,9-10,15-17H2,2H3