2-[1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]indol-5-yl]ethanoic acid

Systemtic Name: 2-[1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]indol-5-yl]ethanoic acid Openeye Name: 2-[1-[(2,4-diaminopteridin-6-yl)methyl]indol-5-yl]acetic acid CAS Name: 2-[1-[(2,4-diamino-6-pteridinyl)methyl]-5-indolyl]acetic acid IUPAC Name: 2-[1-[(2,4-diaminopteridin-6-yl)methyl]indol-5-yl]acetic acid Traditional Name: 2-[1-[(2,4-diaminopteridin-6-yl)methyl]indol-5-yl]acetic acid Formula: C17H15N7O2 MolecularWeight: 349.3467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C=C1CC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN2CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C=C1CC(=O)O

InChI

InChI=1S/C17H15N7O2/c18-15-14-16(23-17(19)22-15)20-7-11(21-14)8-24-4-3-10-5-9(6-13(25)26)1-2-12(10)24/h1-5,7H,6,8H2,(H,25,26)(H4,18,19,20,22,23)