N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrimidin-2-amine

Systemtic Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrimidin-2-amine Openeye Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrimidin-2-amine CAS Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-pyrimidinamine IUPAC Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrimidin-2-amine Traditional Name: [(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-(2-pyrimidyl)amine Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=NC=CC=N2)C3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=NC=CC=N2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O/c1-26-16-9-7-15(8-10-16)18(13-25-21-22-11-4-12-23-21)19-14-24-20-6-3-2-5-17(19)20/h2-12,14,18,24H,13H2,1H3,(H,22,23,25)/t18-/m0/s1