[2-(2-azanyl-5-pyridin-2-yl-pyrimidin-4-yl)-4-butyl-5-methoxy-phenyl] ethanoate

Systemtic Name: [2-(2-azanyl-5-pyridin-2-yl-pyrimidin-4-yl)-4-butyl-5-methoxy-phenyl] ethanoate Openeye Name: [2-[2-amino-5-(2-pyridyl)pyrimidin-4-yl]-4-butyl-5-methoxy-phenyl] acetate CAS Name: acetic acid [2-[2-amino-5-(2-pyridinyl)-4-pyrimidinyl]-4-butyl-5-methoxyphenyl] ester IUPAC Name: [2-(2-amino-5-pyridin-2-ylpyrimidin-4-yl)-4-butyl-5-methoxyphenyl] acetate Traditional Name: acetic acid [2-[2-amino-5-(2-pyridyl)pyrimidin-4-yl]-4-butyl-5-methoxy-phenyl] ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C2=NC(=NC=C2C3=CC=CC=N3)N)OC(=O)C)OC

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C2=NC(=NC=C2C3=CC=CC=N3)N)OC(=O)C)OC

InChI

InChI=1S/C22H24N4O3/c1-4-5-8-15-11-16(20(29-14(2)27)12-19(15)28-3)21-17(13-25-22(23)26-21)18-9-6-7-10-24-18/h6-7,9-13H,4-5,8H2,1-3H3,(H2,23,25,26)