aminomethyl 2-[2-(pentanoylamino)pyrimidin-4-yl]benzoate

Systemtic Name: aminomethyl 2-[2-(pentanoylamino)pyrimidin-4-yl]benzoate Openeye Name: aminomethyl 2-[2-(pentanoylamino)pyrimidin-4-yl]benzoate CAS Name: 2-[2-(1-oxopentylamino)-4-pyrimidinyl]benzoic acid aminomethyl ester IUPAC Name: aminomethyl 2-[2-(pentanoylamino)pyrimidin-4-yl]benzoate Traditional Name: 2-[2-(valerylamino)pyrimidin-4-yl]benzoic acid aminomethyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC=CC(=N1)C2=CC=CC=C2C(=O)OCN

Isomeric SMILES

CCCCC(=O)NC1=NC=CC(=N1)C2=CC=CC=C2C(=O)OCN

InChI

InChI=1S/C17H20N4O3/c1-2-3-8-15(22)21-17-19-10-9-14(20-17)12-6-4-5-7-13(12)16(23)24-11-18/h4-7,9-10H,2-3,8,11,18H2,1H3,(H,19,20,21,22)