4-[(4-azanylquinazolin-7-yl)methyl]-2,6-dimethyl-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[(4-azanylquinazolin-7-yl)methyl]-2,6-dimethyl-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[(4-aminoquinazolin-7-yl)methyl]-2,6-dimethyl-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[(4-amino-7-quinazolinyl)methyl]-2,6-dimethyl-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[(4-aminoquinazolin-7-yl)methyl]-2,6-dimethyl-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-[(4-aminoquinazolin-7-yl)methyl]-3-keto-2,6-dimethyl-piperazine-1-carboxylic acid Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C(N1C(=O)O)C)CC2=CC3=C(C=C2)C(=NC=N3)N

Isomeric SMILES

CC1CN(C(=O)C(N1C(=O)O)C)CC2=CC3=C(C=C2)C(=NC=N3)N

InChI

InChI=1S/C16H19N5O3/c1-9-6-20(15(22)10(2)21(9)16(23)24)7-11-3-4-12-13(5-11)18-8-19-14(12)17/h3-5,8-10H,6-7H2,1-2H3,(H,23,24)(H2,17,18,19)