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

Systemtic Name: 4-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-4-keto-butyric acid Formula: C17H17N7O3 MolecularWeight: 367.36198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O3/c18-15-14-16(24-17(19)23-15)21-8-11(22-14)7-20-10-3-1-9(2-4-10)12(25)5-6-13(26)27/h1-4,8,20H,5-7H2,(H,26,27)(H4,18,19,21,23,24)