1-[(2Z)-3-oxidanylidene-2-pyrrolo[2,3-b]pyridin-3-ylidene-1,4-dihydroquinoxalin-6-yl]-3-pentyl-urea

Systemtic Name: 1-[(2Z)-3-oxidanylidene-2-pyrrolo[2,3-b]pyridin-3-ylidene-1,4-dihydroquinoxalin-6-yl]-3-pentyl-urea Openeye Name: 1-[(2Z)-3-oxo-2-pyrrolo[2,3-b]pyridin-3-ylidene-1,4-dihydroquinoxalin-6-yl]-3-pentyl-urea CAS Name: 1-[(2Z)-3-oxo-2-(3-pyrrolo[2,3-b]pyridinylidene)-1,4-dihydroquinoxalin-6-yl]-3-pentylurea IUPAC Name: 1-[(2Z)-3-oxo-2-pyrrolo[2,3-b]pyridin-3-ylidene-1,4-dihydroquinoxalin-6-yl]-3-pentylurea Traditional Name: 1-amyl-3-[(2Z)-3-keto-2-pyrrolo[2,3-b]pyridin-3-ylidene-1,4-dihydroquinoxalin-6-yl]urea Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=CC2=C(C=C1)NC(=C3C=NC4=C3C=CC=N4)C(=O)N2

Isomeric SMILES

CCCCCNC(=O)NC1=CC2=C(C=C1)N/C(=C/3\C=NC4=C3C=CC=N4)/C(=O)N2

InChI

InChI=1S/C21H22N6O2/c1-2-3-4-9-23-21(29)25-13-7-8-16-17(11-13)27-20(28)18(26-16)15-12-24-19-14(15)6-5-10-22-19/h5-8,10-12,26H,2-4,9H2,1H3,(H,27,28)(H2,23,25,29)/b18-15+