N-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: N-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: 5H-pyrimid[5,4-b]indol-4-yl-[3-(trifluoromethyl)benzyl]amine Formula: C18H13F3N4 MolecularWeight: 342.31783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)NCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=NC=N3)NCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C18H13F3N4/c19-18(20,21)12-5-3-4-11(8-12)9-22-17-16-15(23-10-24-17)13-6-1-2-7-14(13)25-16/h1-8,10,25H,9H2,(H,22,23,24)