N-(3-bromophenyl)-2-(2-diethylaminoethyl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine

Systemtic Name: N-(3-bromophenyl)-2-(2-diethylaminoethyl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine Openeye Name: N-(3-bromophenyl)-2-(2-diethylaminoethyl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine CAS Name: N-(3-bromophenyl)-2-(2-diethylaminoethyl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine IUPAC Name: N-(3-bromophenyl)-2-(2-diethylaminoethyl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine Traditional Name: 2-[4-(3-bromoanilino)-6-methoxy-9H-pyrimid[4,5-b]indol-2-yl]ethyl-diethyl-amine Formula: C23H26BrN5O MolecularWeight: 468.38944

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=NC2=C(C3=C(N2)C=CC(=C3)OC)C(=N1)NC4=CC(=CC=C4)Br

Isomeric SMILES

CCN(CC)CCC1=NC2=C(C3=C(N2)C=CC(=C3)OC)C(=N1)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H26BrN5O/c1-4-29(5-2)12-11-20-27-22(25-16-8-6-7-15(24)13-16)21-18-14-17(30-3)9-10-19(18)26-23(21)28-20/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,26,27,28)