5-(4-methylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-keto-1H-quinazolin-2-yl)methylthio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=NC(=O)C5=CC=CC=C5N4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=NC(=O)C5=CC=CC=C5N4)CC=C

InChI

InChI=1S/C25H20N4O2S2/c1-3-12-29-24(31)21-18(16-10-8-15(2)9-11-16)13-32-23(21)28-25(29)33-14-20-26-19-7-5-4-6-17(19)22(30)27-20/h3-11,13H,1,12,14H2,2H3,(H,26,27,30)