4-[1-[2,4-bis(azanyl)pteridin-6-yl]butan-2-yl]benzoic acid

Systemtic Name: 4-[1-[2,4-bis(azanyl)pteridin-6-yl]butan-2-yl]benzoic acid Openeye Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]benzoic acid CAS Name: 4-[1-(2,4-diamino-6-pteridinyl)butan-2-yl]benzoic acid IUPAC Name: 4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoic acid Traditional Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]benzoic acid Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2/c1-2-9(10-3-5-11(6-4-10)16(24)25)7-12-8-20-15-13(21-12)14(18)22-17(19)23-15/h3-6,8-9H,2,7H2,1H3,(H,24,25)(H4,18,19,20,22,23)