dimethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]butanedioate

Systemtic Name: dimethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]butanedioate Openeye Name: dimethyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]butanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]butanedioate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]succinic acid dimethyl ester Formula: C20H21N7O6 MolecularWeight: 455.42404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O6/c1-32-14(28)7-13(19(31)33-2)25-17(29)10-3-5-11(6-4-10)22-8-12-9-23-16-15(24-12)18(30)27-20(21)26-16/h3-6,9,13,22H,7-8H2,1-2H3,(H,25,29)(H3,21,23,26,27,30)