2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-aminoquinazolin-2-yl)methylthio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H17N5OS3 MolecularWeight: 463.59828

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4C(=N3)N)SC=C2C5=CC=CS5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4C(=N3)N)SC=C2C5=CC=CS5

InChI

InChI=1S/C22H17N5OS3/c1-2-9-27-21(28)18-14(16-8-5-10-29-16)11-30-20(18)26-22(27)31-12-17-24-15-7-4-3-6-13(15)19(23)25-17/h2-8,10-11H,1,9,12H2,(H2,23,24,25)