diethyl (2S)-2-[[4-[[2,4-bis(azanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[[2,4-bis(azanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl]amino]glutaric acid diethyl ester Formula: C23H28N6O5S MolecularWeight: 500.57062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=C(C3=C(N2)N=C(N=C3N)N)C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=C(C3=C(N2)N=C(N=C3N)N)C

InChI

InChI=1S/C23H28N6O5S/c1-4-33-16(30)11-10-15(22(32)34-5-2)26-20(31)13-6-8-14(9-7-13)35-21-12(3)17-18(24)27-23(25)29-19(17)28-21/h6-9,15H,4-5,10-11H2,1-3H3,(H,26,31)(H5,24,25,27,28,29)/t15-/m0/s1