[2-(5-azanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoylamino] 3-methylbutanoate hydrochloride

Systemtic Name: [2-(5-azanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoylamino] 3-methylbutanoate hydrochloride Openeye Name: [[2-(5-amino-6-oxo-2-phenyl-pyrimidin-1-yl)acetyl]amino] 3-methylbutanoate hydrochloride CAS Name: 3-methylbutanoic acid [[2-(5-amino-6-oxo-2-phenyl-1-pyrimidinyl)-1-oxoethyl]amino] ester hydrochloride IUPAC Name: [[2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino] 3-methylbutanoate hydrochloride Traditional Name: 3-methylbutyric acid [[2-(5-amino-6-keto-2-phenyl-pyrimidin-1-yl)acetyl]amino] ester hydrochloride Formula: C17H21ClN4O4 MolecularWeight: 380.82604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)ONC(=O)CN1C(=NC=C(C1=O)N)C2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)CC(=O)ONC(=O)CN1C(=NC=C(C1=O)N)C2=CC=CC=C2.Cl

InChI

InChI=1S/C17H20N4O4.ClH/c1-11(2)8-15(23)25-20-14(22)10-21-16(12-6-4-3-5-7-12)19-9-13(18)17(21)24;/h3-7,9,11H,8,10,18H2,1-2H3,(H,20,22);1H