7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: 7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 7-(3-pyridylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 7-(3-pyridinylmethyl)-N-(3,4,5-trimethoxyphenyl)-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-(3,4,5-trimethoxyphenyl)amine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C3C=CN(C3=N2)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C3C=CN(C3=N2)CC4=CN=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-27-17-9-16(10-18(28-2)19(17)29-3)24-21-23-12-15-6-8-26(20(15)25-21)13-14-5-4-7-22-11-14/h4-12H,13H2,1-3H3,(H,23,24,25)