dimethyl (2S)-2-[2-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-6-oxidanylidene-4H-thieno[2,3-c]pyrrol-5-yl]pentanedioate

Systemtic Name: dimethyl (2S)-2-[2-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-6-oxidanylidene-4H-thieno[2,3-c]pyrrol-5-yl]pentanedioate Openeye Name: dimethyl (2S)-2-[2-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]pentanedioate CAS Name: (2S)-2-[2-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[2-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]pentanedioate Traditional Name: (2S)-2-[6-keto-2-[2-[4-keto-2-(pivaloylamino)-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4H-thieno[2,3-c]pyrrol-5-yl]glutaric acid dimethyl ester Formula: C27H27N5O7S MolecularWeight: 565.59758

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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#CC3=CC4=C(S3)C(=O)N(C4)C(CCC(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)N=CC(=C2)C#CC3=CC4=C(S3)C(=O)N(C4)[C@@H](CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C27H27N5O7S/c1-27(2,3)25(37)31-26-29-21-17(22(34)30-26)10-14(12-28-21)6-7-16-11-15-13-32(23(35)20(15)40-16)18(24(36)39-5)8-9-19(33)38-4/h10-12,18H,8-9,13H2,1-5H3,(H2,28,29,30,31,34,37)/t18-/m0/s1