N-(3-bromophenyl)-5H-pyrimido[5,4-b]indol-4-amine hydrochloride

Systemtic Name: N-(3-bromophenyl)-5H-pyrimido[5,4-b]indol-4-amine hydrochloride Openeye Name: N-(3-bromophenyl)-5H-pyrimido[5,4-b]indol-4-amine hydrochloride CAS Name: N-(3-bromophenyl)-5H-pyrimido[5,4-b]indol-4-amine hydrochloride IUPAC Name: N-(3-bromophenyl)-5H-pyrimido[5,4-b]indol-4-amine hydrochloride Traditional Name: (3-bromophenyl)-(5H-pyrimid[5,4-b]indol-4-yl)amine hydrochloride Formula: C16H12BrClN4 MolecularWeight: 375.65028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=CC(=CC=C4)Br.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=CC(=CC=C4)Br.Cl

InChI

InChI=1S/C16H11BrN4.ClH/c17-10-4-3-5-11(8-10)20-16-15-14(18-9-19-16)12-6-1-2-7-13(12)21-15;/h1-9,21H,(H,18,19,20);1H