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

Systemtic Name: 8-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: 8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine CAS Name: 8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: 8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: (8-chloro-5H-pyrimid[5,4-b]indol-4-yl)-homoveratryl-amine Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O2/c1-26-16-6-3-12(9-17(16)27-2)7-8-22-20-19-18(23-11-24-20)14-10-13(21)4-5-15(14)25-19/h3-6,9-11,25H,7-8H2,1-2H3,(H,22,23,24)