2-[[3-(3-methylbutanoylamino)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-7-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-(3-methylbutanoylamino)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-7-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-(3-methylbutanoylamino)-4-oxo-pyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetic acid CAS Name: 2-[[[3-[(3-methyl-1-oxobutyl)amino]-4-oxo-7-pyrido[1,2-a]pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetic acid Traditional Name: 2-[[3-(isovalerylamino)-4-keto-pyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetic acid Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CN=C2C=CC(=CN2C1=O)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CN=C2C=CC(=CN2C1=O)C(=O)NCC(=O)O

InChI

InChI=1S/C16H18N4O5/c1-9(2)5-13(21)19-11-6-17-12-4-3-10(8-20(12)16(11)25)15(24)18-7-14(22)23/h3-4,6,8-9H,5,7H2,1-2H3,(H,18,24)(H,19,21)(H,22,23)