methyl 3-[[4-[2-(3-oxidanylpropylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 3-[[4-[2-(3-oxidanylpropylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[4-[2-(3-hydroxypropylamino)-4-pyridyl]pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-[2-(3-hydroxypropylamino)-4-pyridinyl]-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(3-hydroxypropylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-[2-(3-hydroxypropylamino)-4-pyridyl]pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO

InChI

InChI=1S/C20H21N5O3/c1-28-19(27)15-4-2-5-16(12-15)24-20-23-10-7-17(25-20)14-6-9-22-18(13-14)21-8-3-11-26/h2,4-7,9-10,12-13,26H,3,8,11H2,1H3,(H,21,22)(H,23,24,25)