3-(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide CAS Name: 3-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide Traditional Name: N-benzyl-3-(8-bromo-4-keto-5H-pyrimid[5,4-b]indol-3-yl)propionamide Formula: C20H17BrN4O2 MolecularWeight: 425.27858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C20H17BrN4O2/c21-14-6-7-16-15(10-14)18-19(24-16)20(27)25(12-23-18)9-8-17(26)22-11-13-4-2-1-3-5-13/h1-7,10,12,24H,8-9,11H2,(H,22,26)