5,6-dimethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-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-5,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H17N5O2S2 MolecularWeight: 411.50058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)CC=C)C

InChI

InChI=1S/C19H17N5O2S2/c1-4-9-23-18(26)15-11(2)12(3)28-16(15)20-19(23)27-10-24-17(25)13-7-5-6-8-14(13)21-22-24/h4-8H,1,9-10H2,2-3H3