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

Systemtic Name: 6-ethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-6-ethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-6-ethyl-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C19H17N5O2S2 MolecularWeight: 411.50058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H17N5O2S2/c1-3-9-23-17(25)14-10-12(4-2)28-16(14)20-19(23)27-11-24-18(26)13-7-5-6-8-15(13)21-22-24/h3,5-8,10H,1,4,9,11H2,2H3