3-[6-(aminocarbonylamino)-7-chloranyl-4-methyl-2-oxidanylidene-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[6-(aminocarbonylamino)-7-chloranyl-4-methyl-2-oxidanylidene-quinazolin-1-yl]propanoic acid Openeye Name: 3-(7-chloro-4-methyl-2-oxo-6-ureido-quinazolin-1-yl)propanoic acid CAS Name: 3-[6-(carbamoylamino)-7-chloro-4-methyl-2-oxo-1-quinazolinyl]propanoic acid IUPAC Name: 3-[6-(carbamoylamino)-7-chloro-4-methyl-2-oxoquinazolin-1-yl]propanoic acid Traditional Name: 3-(7-chloro-2-keto-4-methyl-6-ureido-quinazolin-1-yl)propionic acid Formula: C13H13ClN4O4 MolecularWeight: 324.71972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(C2=CC(=C(C=C12)NC(=O)N)Cl)CCC(=O)O

Isomeric SMILES

CC1=NC(=O)N(C2=CC(=C(C=C12)NC(=O)N)Cl)CCC(=O)O

InChI

InChI=1S/C13H13ClN4O4/c1-6-7-4-9(17-12(15)21)8(14)5-10(7)18(13(22)16-6)3-2-11(19)20/h4-5H,2-3H2,1H3,(H,19,20)(H3,15,17,21)