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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2-(2-methylpropanoyl)benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-(2-methylpropanoyl)benzoic acid CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-(2-methyl-1-oxopropyl)benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-(2-methylpropanoyl)benzoic acid Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-2-isobutyryl-benzoic acid Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O4/c1-8(2)14(25)12-5-9(3-4-11(12)17(27)28)20-6-10-7-21-15-13(22-10)16(26)24-18(19)23-15/h3-5,7-8,20H,6H2,1-2H3,(H,27,28)(H3,19,21,23,24,26)