2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N=C(N2)SCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C17H22N4O2S/c1-11-9-12(2)18-15-14(11)16(23)20-17(19-15)24-10-13(22)21-7-5-3-4-6-8-21/h9H,3-8,10H2,1-2H3,(H,18,19,20,23)