5-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-5-oxo-pentanoic acid CAS Name: 5-[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-5-oxopentanoic acid IUPAC Name: 5-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-5-oxopentanoic acid Traditional Name: 5-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-5-keto-valeric acid Formula: C18H19N7O3 MolecularWeight: 381.38856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCC(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCC(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C18H19N7O3/c19-16-15-17(25-18(20)24-16)22-9-12(23-15)8-21-11-6-4-10(5-7-11)13(26)2-1-3-14(27)28/h4-7,9,21H,1-3,8H2,(H,27,28)(H4,19,20,22,24,25)