2-(2-ethyl-1-oxidanyl-butyl)-1-(pyridin-2-ylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 2-(2-ethyl-1-oxidanyl-butyl)-1-(pyridin-2-ylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 2-(2-ethyl-1-hydroxy-butyl)-1-(2-pyridylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 2-(2-ethyl-1-hydroxybutyl)-1-(2-pyridinylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 2-(2-ethyl-1-hydroxybutyl)-1-(pyridin-2-ylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 2-(2-ethyl-1-hydroxy-butyl)-1-(2-pyridylamino)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1C=CC2C(N1NC3=CC=CC=N3)C(=O)NC2=O)O

Isomeric SMILES

CCC(CC)C(C1C=CC2C(N1NC3=CC=CC=N3)C(=O)NC2=O)O

InChI

InChI=1S/C18H24N4O3/c1-3-11(4-2)16(23)13-9-8-12-15(18(25)20-17(12)24)22(13)21-14-7-5-6-10-19-14/h5-13,15-16,23H,3-4H2,1-2H3,(H,19,21)(H,20,24,25)