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

Systemtic Name: 3-cyclopentyl-5,6-dimethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-cyclopentyl-5,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-cyclopentyl-5,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-cyclopentyl-5,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-cyclopentyl-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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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)C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)C5CCCC5)C

InChI

InChI=1S/C21H21N5O2S2/c1-12-13(2)30-18-17(12)20(28)26(14-7-3-4-8-14)21(22-18)29-11-25-19(27)15-9-5-6-10-16(15)23-24-25/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3