4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-prop-2-ynyl-amino]benzoic acid Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynyl-amino]benzoic acid CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-prop-2-ynylamino]benzoic acid IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]benzoic acid Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-propargyl-amino]benzoic acid Formula: C17H15N7O2 MolecularWeight: 349.3467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N7O2/c1-2-7-24(12-5-3-10(4-6-12)16(25)26)9-11-8-20-15-13(21-11)14(18)22-17(19)23-15/h1,3-6,8H,7,9H2,(H,25,26)(H4,18,19,20,22,23)