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

Systemtic Name: 6-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-6-oxo-hexanoic acid CAS Name: 6-[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-6-oxohexanoic acid IUPAC Name: 6-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-6-oxohexanoic acid Traditional Name: 6-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-6-keto-hexanoic acid Formula: C19H21N7O3 MolecularWeight: 395.41514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O3/c20-17-16-18(26-19(21)25-17)23-10-13(24-16)9-22-12-7-5-11(6-8-12)14(27)3-1-2-4-15(28)29/h5-8,10,22H,1-4,9H2,(H,28,29)(H4,20,21,23,25,26)