4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2,3-diethanoyl-benzoic acid

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2,3-diethanoyl-benzoic acid Openeye Name: 2,3-diacetyl-4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid CAS Name: 2,3-diacetyl-4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid IUPAC Name: 2,3-diacetyl-4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid Traditional Name: 2,3-diacetyl-4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoic acid Formula: C18H16N6O5 MolecularWeight: 396.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O5/c1-7(25)12-10(17(28)29)3-4-11(13(12)8(2)26)20-5-9-6-21-15-14(22-9)16(27)24-18(19)23-15/h3-4,6,20H,5H2,1-2H3,(H,28,29)(H3,19,21,23,24,27)