4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2-methyl-benzoic acid

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2-methyl-benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-methyl-benzoic acid CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-methylbenzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-methylbenzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-2-methyl-benzoic acid Formula: C15H14N6O3 MolecularWeight: 326.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C15H14N6O3/c1-7-4-8(2-3-10(7)14(23)24)17-5-9-6-18-12-11(19-9)13(22)21-15(16)20-12/h2-4,6,17H,5H2,1H3,(H,23,24)(H3,16,18,20,21,22)