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

Systemtic Name: 4-[[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]methylamino]benzoic acid Openeye Name: 4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoic acid CAS Name: 4-[(2,4-diamino-5-methyl-6-quinazolinyl)methylamino]benzoic acid IUPAC Name: 4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoic acid Traditional Name: 4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoic acid Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17N5O2/c1-9-11(4-7-13-14(9)15(18)22-17(19)21-13)8-20-12-5-2-10(3-6-12)16(23)24/h2-7,20H,8H2,1H3,(H,23,24)(H4,18,19,21,22)