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

Systemtic Name: 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H15N5O2S3 MolecularWeight: 465.5711

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCN3C(=O)C4=CC=CC=C4N=N3)SC=C2C5=CC=CS5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCN3C(=O)C4=CC=CC=C4N=N3)SC=C2C5=CC=CS5

InChI

InChI=1S/C21H15N5O2S3/c1-2-9-25-20(28)17-14(16-8-5-10-29-16)11-30-18(17)22-21(25)31-12-26-19(27)13-6-3-4-7-15(13)23-24-26/h2-8,10-11H,1,9,12H2