4-[[2,4-bis(azanyl)-5-chloranyl-quinazolin-6-yl]methylamino]benzoic acid

Systemtic Name: 4-[[2,4-bis(azanyl)-5-chloranyl-quinazolin-6-yl]methylamino]benzoic acid Openeye Name: 4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoic acid CAS Name: 4-[(2,4-diamino-5-chloro-6-quinazolinyl)methylamino]benzoic acid IUPAC Name: 4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoic acid Traditional Name: 4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoic acid Formula: C16H14ClN5O2 MolecularWeight: 343.76766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

InChI

InChI=1S/C16H14ClN5O2/c17-13-9(3-6-11-12(13)14(18)22-16(19)21-11)7-20-10-4-1-8(2-5-10)15(23)24/h1-6,20H,7H2,(H,23,24)(H4,18,19,21,22)