1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-N-prop-2-enyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-cyclopropyl-3-methyl-N-prop-2-enyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-allyl-6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 6-cyclopropyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-methyl-N-prop-2-enyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-prop-2-enylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-allyl-6-cyclopropyl-1-[(3S)-1,1-diketothiolan-3-yl]-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NCC=C)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NCC=C)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C18H22N4O3S/c1-3-7-19-18(23)14-9-15(12-4-5-12)20-17-16(14)11(2)21-22(17)13-6-8-26(24,25)10-13/h3,9,12-13H,1,4-8,10H2,2H3,(H,19,23)/t13-/m0/s1