N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: homoveratryl-(7-methoxy-5H-pyrimid[5,4-b]indol-4-yl)amine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H22N4O3/c1-26-14-5-6-15-16(11-14)25-20-19(15)23-12-24-21(20)22-9-8-13-4-7-17(27-2)18(10-13)28-3/h4-7,10-12,25H,8-9H2,1-3H3,(H,22,23,24)