5-[(4S)-azepan-4-yl]-3-chloranyl-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-[(4S)-azepan-4-yl]-3-chloranyl-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-[(4S)-azepan-4-yl]-3-chloro-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[(4S)-4-azepanyl]-3-chloro-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-[(4S)-azepan-4-yl]-3-chloro-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[(4S)-azepan-4-yl]-3-chloro-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C13H17ClN4O MolecularWeight: 280.75328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=CC(=O)N2N1)C3CCCNCC3)Cl

Isomeric SMILES

CC1=C(C2=NC(=CC(=O)N2N1)[C@H]3CCCNCC3)Cl

InChI

InChI=1S/C13H17ClN4O/c1-8-12(14)13-16-10(7-11(19)18(13)17-8)9-3-2-5-15-6-4-9/h7,9,15,17H,2-6H2,1H3/t9-/m0/s1