146943-43-3
(S)-DIETHYL 2-(4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL)BENZAMIDO)PENTANEDIOATE
Name
(S)-DIETHYL 2-(4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL)BENZAMIDO)PENTANEDIOATE
Formula
C24 H29 N5 O6
MolWeight
483.522
1Identification
【Name】
(S)-DIETHYL 2-(4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL)BENZAMIDO)PENTANEDIOATE
【CAS】
【MDL】
MFCD09833741
【English Synonyms】
【Formula】
C24 H29 N5 O6
【MolWeight】
483.522
【Inchi】
InChI=1S/C24H29N5O6/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32)/t17-/m0/s1
【InChIKey】
InChIKey=DEJAOZLLEHXUBF-KRWDZBQOSA-N
【SMILES】
CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2c(=O)[nH]c(n3)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:11
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-DIETHYL 2-(4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL)BENZAMIDO)PENTANEDIOATE.cml
Quick Release
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