4-[(4-chloranylquinazolin-7-yl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[(4-chloranylquinazolin-7-yl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[(4-chloroquinazolin-7-yl)methyl]-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[(4-chloro-7-quinazolinyl)methyl]-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[(4-chloroquinazolin-7-yl)methyl]-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-[(4-chloroquinazolin-7-yl)methyl]-3-keto-piperazine-1-carboxylic acid Formula: C14H13ClN4O3 MolecularWeight: 320.73102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)O)CC2=CC3=C(C=C2)C(=NC=N3)Cl

Isomeric SMILES

C1CN(C(=O)CN1C(=O)O)CC2=CC3=C(C=C2)C(=NC=N3)Cl

InChI

InChI=1S/C14H13ClN4O3/c15-13-10-2-1-9(5-11(10)16-8-17-13)6-18-3-4-19(14(21)22)7-12(18)20/h1-2,5,8H,3-4,6-7H2,(H,21,22)