5-[2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-[2-(1-azepanyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4

Isomeric SMILES

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4

InChI

InChI=1S/C19H21N5O2S/c25-17-14-16(21-22-17)20-12-24(19(14)27)15(13-8-4-3-5-9-13)18(26)23-10-6-1-2-7-11-23/h3-5,8-9,12,15H,1-2,6-7,10-11H2,(H2,21,22,25)