2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-4-methylidene-pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-4-methylidene-pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylene-pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-4-methylenepentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylidenepentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylene-glutaric acid Formula: C20H19N7O6 MolecularWeight: 453.40816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7O6/c1-9(18(30)31)6-13(19(32)33)25-16(28)10-2-4-11(5-3-10)22-7-12-8-23-15-14(24-12)17(29)27-20(21)26-15/h2-5,8,13,22H,1,6-7H2,(H,25,28)(H,30,31)(H,32,33)(H3,21,23,26,27,29)