8-bromanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: 8-bromanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5H-pyrimido[5,4-b]indol-4-amine CAS Name: 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: 8-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: (8-bromo-5H-pyrimid[5,4-b]indol-4-yl)-homoveratryl-methyl-amine Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=NC=NC3=C2NC4=C3C=C(C=C4)Br

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=NC=NC3=C2NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O2/c1-26(9-8-13-4-7-17(27-2)18(10-13)28-3)21-20-19(23-12-24-21)15-11-14(22)5-6-16(15)25-20/h4-7,10-12,25H,8-9H2,1-3H3