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

Systemtic Name: 5-cyclopropyl-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-cyclopropyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-cyclopropyl-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCN3C(=O)C4=CC=CC=C4N=N3)SC=C2C5CC5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCN3C(=O)C4=CC=CC=C4N=N3)SC=C2C5CC5

InChI

InChI=1S/C20H17N5O2S2/c1-2-9-24-19(27)16-14(12-7-8-12)10-28-17(16)21-20(24)29-11-25-18(26)13-5-3-4-6-15(13)22-23-25/h2-6,10,12H,1,7-9,11H2