4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-(2-pyridylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-(2-pyridinylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1-(2-pyridylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H26N4O2S/c26-19(24-12-5-1-2-6-13-24)15-28-20-17-9-7-10-18(17)25(21(27)23-20)14-16-8-3-4-11-22-16/h3-4,8,11H,1-2,5-7,9-10,12-15H2