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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-prop-2-ynyl-amino]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-prop-2-ynyl-amino]benzoic acid CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-prop-2-ynylamino]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-prop-2-ynylamino]benzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-propargyl-amino]benzoic acid Formula: C17H14N6O3 MolecularWeight: 350.33146

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C#CCN(CC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N6O3/c1-2-7-23(12-5-3-10(4-6-12)16(25)26)9-11-8-19-14-13(20-11)15(24)22-17(18)21-14/h1,3-6,8H,7,9H2,(H,25,26)(H3,18,19,21,22,24)