5-(1-phenylethyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

Systemtic Name: 5-(1-phenylethyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-(1-phenylethyl)-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-(1-phenylethyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-(1-phenylethyl)-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-(1-phenylethyl)-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC3=C(C2=S)C(=O)NN3

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC3=C(C2=S)C(=O)NN3

InChI

InChI=1S/C13H12N4OS/c1-8(9-5-3-2-4-6-9)17-7-14-11-10(13(17)19)12(18)16-15-11/h2-8H,1H3,(H2,15,16,18)