N-(4-butylphenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: N-(4-butylphenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-(4-butylphenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-(4-butylphenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-(4-butylphenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: (4-butylphenyl)-(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)amine Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C22H24N4O2/c1-4-5-6-14-7-9-15(10-8-14)25-22-21-20(23-13-24-22)16-11-18(27-2)19(28-3)12-17(16)26-21/h7-13,26H,4-6H2,1-3H3,(H,23,24,25)