5-[1-[2,4-bis(azanyl)pteridin-6-yl]butan-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[1-[2,4-bis(azanyl)pteridin-6-yl]butan-2-yl]thiophene-2-carboxylic acid Openeye Name: 5-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[1-(2,4-diamino-6-pteridinyl)butan-2-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]thiophene-2-carboxylic acid Traditional Name: 5-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]-2-thenoic acid Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(S3)C(=O)O

Isomeric SMILES

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C15H16N6O2S/c1-2-7(9-3-4-10(24-9)14(22)23)5-8-6-18-13-11(19-8)12(16)20-15(17)21-13/h3-4,6-7H,2,5H2,1H3,(H,22,23)(H4,16,17,18,20,21)