cyclohexyl 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-ethanoate

Systemtic Name: cyclohexyl 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-ethanoate Openeye Name: cyclohexyl 2-(3-oxo-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-acetate CAS Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetate Traditional Name: 2-(3-keto-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-acetic acid cyclohexyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4

InChI

InChI=1S/C19H20N4O3S/c24-17-14-16(21-22-17)20-11-23(18(14)27)15(12-7-3-1-4-8-12)19(25)26-13-9-5-2-6-10-13/h1,3-4,7-8,11,13,15H,2,5-6,9-10H2,(H2,21,22,24)