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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: homoveratryl-(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)amine Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H22N4O2/c1-13-4-6-16-15(10-13)19-20(25-16)21(24-12-23-19)22-9-8-14-5-7-17(26-2)18(11-14)27-3/h4-7,10-12,25H,8-9H2,1-3H3,(H,22,23,24)