diethyl 2-[4-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pteridin-6-yl]-5-ethanoyl-1,3-dithiol-2-ylidene]propanedioate

Systemtic Name: diethyl 2-[4-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pteridin-6-yl]-5-ethanoyl-1,3-dithiol-2-ylidene]propanedioate Openeye Name: diethyl 2-[4-acetyl-5-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pteridin-6-yl]-1,3-dithiol-2-ylidene]propanedioate CAS Name: 2-[4-acetyl-5-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pteridin-6-yl]-1,3-dithiol-2-ylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-acetyl-5-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pteridin-6-yl]-1,3-dithiol-2-ylidene]propanedioate Traditional Name: 2-[4-acetyl-5-[4-keto-2-(pivaloylamino)-1H-pteridin-6-yl]-1,3-dithiol-2-ylidene]malonic acid diethyl ester Formula: C23H25N5O7S2 MolecularWeight: 547.6039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1SC(=C(S1)C(=O)C)C2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C1SC(=C(S1)C(=O)C)C2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C23H25N5O7S2/c1-7-34-18(31)12(19(32)35-8-2)20-36-14(10(3)29)15(37-20)11-9-24-16-13(25-11)17(30)27-22(26-16)28-21(33)23(4,5)6/h9H,7-8H2,1-6H3,(H2,24,26,27,28,30,33)