5-ethyl-6-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-3-(2-oxolanylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-ethyl-6-methyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-ethyl-2-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]-6-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-4-one Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CN3C)CC4CCCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CN3C)CC4CCCO4)C

InChI

InChI=1S/C21H25N3O3S2/c1-4-15-13(2)29-19-18(15)20(26)24(11-14-7-6-10-27-14)21(22-19)28-12-17(25)16-8-5-9-23(16)3/h5,8-9,14H,4,6-7,10-12H2,1-3H3