dimethyl 2-[6-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]hex-5-ynoylamino]pentanedioate

Systemtic Name: dimethyl 2-[6-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]hex-5-ynoylamino]pentanedioate Openeye Name: dimethyl 2-[6-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]hex-5-ynoylamino]pentanedioate CAS Name: 2-[[6-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]-1-oxohex-5-ynyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[6-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]hex-5-ynoylamino]pentanedioate Traditional Name: 2-[6-[4-keto-2-(pivaloylamino)-1H-pyrido[2,3-d]pyrimidin-6-yl]hex-5-ynoylamino]glutaric acid dimethyl ester Formula: C25H31N5O7 MolecularWeight: 513.54294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)N=CC(=C2)C#CCCCC(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)N=CC(=C2)C#CCCCC(=O)NC(CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C25H31N5O7/c1-25(2,3)23(35)30-24-28-20-16(21(33)29-24)13-15(14-26-20)9-7-6-8-10-18(31)27-17(22(34)37-5)11-12-19(32)36-4/h13-14,17H,6,8,10-12H2,1-5H3,(H,27,31)(H2,26,28,29,30,33,35)