3-(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide

Systemtic Name: 3-(8-bromanyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide Openeye Name: 3-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide CAS Name: 3-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide IUPAC Name: 3-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide Traditional Name: 3-(8-bromo-4-keto-5H-pyrimid[5,4-b]indol-3-yl)-N-o-anisyl-propionamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O3/c1-29-17-5-3-2-4-13(17)11-23-18(27)8-9-26-12-24-19-15-10-14(22)6-7-16(15)25-20(19)21(26)28/h2-7,10,12,25H,8-9,11H2,1H3,(H,23,27)