1-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-oxidanyl-3-(4-oxidanylbutoxy)phenyl]hexan-1-one

Systemtic Name: 1-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-oxidanyl-3-(4-oxidanylbutoxy)phenyl]hexan-1-one Openeye Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]hexan-1-one CAS Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]-1-hexanone IUPAC Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]hexan-1-one Traditional Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-hydroxy-3-(4-hydroxybutoxy)phenyl]hexan-1-one Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)O)OCCCCO)C(=O)N2CC3=C(C2=N)N=C(C=C3)C4CC4

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)O)OCCCCO)C(=O)N2CC3=C(C2=N)N=C(C=C3)C4CC4

InChI

InChI=1S/C26H33N3O4/c1-2-3-6-20(18-10-12-22(31)23(15-18)33-14-5-4-13-30)26(32)29-16-19-9-11-21(17-7-8-17)28-24(19)25(29)27/h9-12,15,17,20,27,30-31H,2-8,13-14,16H2,1H3