methyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C21H21N9O4 MolecularWeight: 463.44934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

InChI

InChI=1S/C21H21N9O4/c1-34-20(33)15(6-13-7-23-10-26-13)28-18(31)11-2-4-12(5-3-11)24-8-14-9-25-17-16(27-14)19(32)30-21(22)29-17/h2-5,7,9-10,15,24H,6,8H2,1H3,(H,23,26)(H,28,31)(H3,22,25,29,30,32)