N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methoxy-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methoxy-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methoxy-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methoxy-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methoxy-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: homoveratryl-(9-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=C(C=C(C=C1)CCNC2=NC=NC3=C2NC4=C3C(=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2NC4=C3C(=CC=C4)OC)OC

InChI

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