5-(4-methylphenyl)-3-[3-oxidanylidene-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-3-[3-oxidanylidene-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-oxo-3-[2-(3-pyridyl)pyrrolidin-1-yl]propyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-3-[3-oxo-3-[2-(3-pyridinyl)-1-pyrrolidinyl]propyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-3-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-keto-3-[2-(3-pyridyl)pyrrolidino]propyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)N4CCCC4C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)N4CCCC4C5=CN=CC=C5

InChI

InChI=1S/C25H24N4O2S/c1-17-6-8-18(9-7-17)20-15-32-24-23(20)25(31)28(16-27-24)13-10-22(30)29-12-3-5-21(29)19-4-2-11-26-14-19/h2,4,6-9,11,14-16,21H,3,5,10,12-13H2,1H3