aminomethyl 3-azanyl-5-(pentanoylamino)-2-pyrimidin-4-yl-benzoate

Systemtic Name: aminomethyl 3-azanyl-5-(pentanoylamino)-2-pyrimidin-4-yl-benzoate Openeye Name: aminomethyl 3-amino-5-(pentanoylamino)-2-pyrimidin-4-yl-benzoate CAS Name: 3-amino-5-(1-oxopentylamino)-2-(4-pyrimidinyl)benzoic acid aminomethyl ester IUPAC Name: aminomethyl 3-amino-5-(pentanoylamino)-2-pyrimidin-4-ylbenzoate Traditional Name: 3-amino-2-(4-pyrimidyl)-5-(valerylamino)benzoic acid aminomethyl ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C(=C1)C(=O)OCN)C2=NC=NC=C2)N

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C(=C1)C(=O)OCN)C2=NC=NC=C2)N

InChI

InChI=1S/C17H21N5O3/c1-2-3-4-15(23)22-11-7-12(17(24)25-9-18)16(13(19)8-11)14-5-6-20-10-21-14/h5-8,10H,2-4,9,18-19H2,1H3,(H,22,23)