2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3-phenethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3-phenethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-3-phenethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-methyl-3-phenethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-3-phenethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-methyl-3-phenethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCCCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCCCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2S2/c1-17-15-19-21(30-17)22(28)26(14-11-18-9-5-4-6-10-18)23(24-19)29-16-20(27)25-12-7-2-3-8-13-25/h4-6,9-10,17H,2-3,7-8,11-16H2,1H3