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

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-3-(tetrahydrofuran-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-5-ethyl-6-methyl-3-(2-oxolanylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-5-ethyl-6-methyl-3-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-5-ethyl-6-methyl-3-(tetrahydrofurfuryl)thieno[2,3-d]pyrimidin-4-one Formula: C23H33N3O3S2 MolecularWeight: 463.65642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)N3CCCCCC3)CC4CCCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)N3CCCCCC3)CC4CCCO4)C

InChI

InChI=1S/C23H33N3O3S2/c1-4-18-15(2)30-20-19(18)22(28)26(14-17-10-9-13-29-17)23(24-20)31-16(3)21(27)25-11-7-5-6-8-12-25/h16-17H,4-14H2,1-3H3