N-(3-bromophenyl)-9-(2-diethylaminoethyl)pyrimido[4,5-b]indol-4-amine

Systemtic Name: N-(3-bromophenyl)-9-(2-diethylaminoethyl)pyrimido[4,5-b]indol-4-amine Openeye Name: N-(3-bromophenyl)-9-(2-diethylaminoethyl)pyrimido[4,5-b]indol-4-amine CAS Name: N-(3-bromophenyl)-9-(2-diethylaminoethyl)-4-pyrimido[4,5-b]indolamine IUPAC Name: N-(3-bromophenyl)-9-(2-diethylaminoethyl)pyrimido[4,5-b]indol-4-amine Traditional Name: 2-[4-(3-bromoanilino)pyrimid[4,5-b]indol-9-yl]ethyl-diethyl-amine Formula: C22H24BrN5 MolecularWeight: 438.36346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2C3=C1N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2C3=C1N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H24BrN5/c1-3-27(4-2)12-13-28-19-11-6-5-10-18(19)20-21(24-15-25-22(20)28)26-17-9-7-8-16(23)14-17/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,25,26)