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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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