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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-p-phenetyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C22H27N3O3S2/c1-2-28-17-9-7-16(8-10-17)25-21(27)20-18(11-14-29-20)23-22(25)30-15-19(26)24-12-5-3-4-6-13-24/h7-10H,2-6,11-15H2,1H3