3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine

Systemtic Name: 3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine Openeye Name: 3-[(2S)-2-(2-pyridyl)pyrrolidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine CAS Name: 3-[(2S)-2-(2-pyridinyl)-1-pyrrolidinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine IUPAC Name: 3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine Traditional Name: 3-[(2S)-2-(2-pyridyl)pyrrolidino]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CN=NC(=N2)N3CCCC3C4=CC=CC=N4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CN=NC(=N2)N3CCC[C@H]3C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O3/c1-27-18-11-14(12-19(28-2)20(18)29-3)16-13-23-25-21(24-16)26-10-6-8-17(26)15-7-4-5-9-22-15/h4-5,7,9,11-13,17H,6,8,10H2,1-3H3/t17-/m0/s1