1-butyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-oxidanylidene-4H-quinoxalin-6-yl]urea

Systemtic Name: 1-butyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-oxidanylidene-4H-quinoxalin-6-yl]urea Openeye Name: 1-butyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-oxo-4H-quinoxalin-6-yl]urea CAS Name: 1-butyl-3-[2-(1-methyl-3-pyrrolo[2,3-b]pyridinyl)-3-oxo-4H-quinoxalin-6-yl]urea IUPAC Name: 1-butyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-oxo-4H-quinoxalin-6-yl]urea Traditional Name: 1-butyl-3-[3-keto-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-4H-quinoxalin-6-yl]urea Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CN(C4=C3C=CC=N4)C

Isomeric SMILES

CCCCNC(=O)NC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CN(C4=C3C=CC=N4)C

InChI

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