diethyl (2S)-2-[[4-[4-[2,4-bis(azanyl)furo[2,3-d]pyrimidin-5-yl]butyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[4-[2,4-bis(azanyl)furo[2,3-d]pyrimidin-5-yl]butyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[4-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[4-(2,4-diamino-5-furo[2,3-d]pyrimidinyl)butyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[4-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[4-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)butyl]benzoyl]amino]glutaric acid diethyl ester Formula: C26H33N5O6 MolecularWeight: 511.57012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCCC2=COC3=NC(=NC(=C23)N)N

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCCC2=COC3=NC(=NC(=C23)N)N

InChI

InChI=1S/C26H33N5O6/c1-3-35-20(32)14-13-19(25(34)36-4-2)29-23(33)17-11-9-16(10-12-17)7-5-6-8-18-15-37-24-21(18)22(27)30-26(28)31-24/h9-12,15,19H,3-8,13-14H2,1-2H3,(H,29,33)(H4,27,28,30,31)/t19-/m0/s1