6-methyl-5-(2-methylbutyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-methylbutyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(2-methylbutyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(2-methylbutyl)-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(2-methylbutyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)C3=CC=CN3)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)C3=CC=CN3)C

InChI

InChI=1S/C18H21N3O2S2/c1-4-10(2)8-12-11(3)25-17-15(12)16(23)20-18(21-17)24-9-14(22)13-6-5-7-19-13/h5-7,10,19H,4,8-9H2,1-3H3,(H,20,21,23)