dimethyl 2-[[4-[(2-azanylidene-3-methyl-4-oxidanylidene-4aH-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: dimethyl 2-[[4-[(2-azanylidene-3-methyl-4-oxidanylidene-4aH-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: dimethyl 2-[[4-[(2-imino-3-methyl-4-oxo-4aH-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2-imino-3-methyl-4-oxo-4aH-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[(2-imino-3-methyl-4-oxo-4aH-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2-imino-4-keto-3-methyl-4aH-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid dimethyl ester Formula: C22H25N7O6 MolecularWeight: 483.4772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(=NC1=N)N=CC(=N2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

CN1C(=O)C2C(=NC1=N)N=CC(=N2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C22H25N7O6/c1-29-20(32)17-18(28-22(29)23)25-11-14(26-17)10-24-13-6-4-12(5-7-13)19(31)27-15(21(33)35-3)8-9-16(30)34-2/h4-7,11,15,17,23-24H,8-10H2,1-3H3,(H,27,31)