4-[(4-azanylquinazolin-7-yl)methyl]-2-(methoxymethyl)-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[(4-azanylquinazolin-7-yl)methyl]-2-(methoxymethyl)-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[(4-aminoquinazolin-7-yl)methyl]-2-(methoxymethyl)-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[(4-amino-7-quinazolinyl)methyl]-2-(methoxymethyl)-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[(4-aminoquinazolin-7-yl)methyl]-2-(methoxymethyl)-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-[(4-aminoquinazolin-7-yl)methyl]-3-keto-2-(methoxymethyl)piperazine-1-carboxylic acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(=O)N(CCN1C(=O)O)CC2=CC3=C(C=C2)C(=NC=N3)N

Isomeric SMILES

COCC1C(=O)N(CCN1C(=O)O)CC2=CC3=C(C=C2)C(=NC=N3)N

InChI

InChI=1S/C16H19N5O4/c1-25-8-13-15(22)20(4-5-21(13)16(23)24)7-10-2-3-11-12(6-10)18-9-19-14(11)17/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,23,24)(H2,17,18,19)