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J82

Summary
Name:2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE
Formula:C19 H22 N4 O3
Formal charge:0
Formula weight:354.403 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{2-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-2-oxoethyl}-6-(morpholin-4-yl)pyrimidin-4(3H)-one
OpenEye OEToolkits1.9.22-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]-4-morpholin-4-yl-1H-pyrimidin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(N=C(N1)CC(=O)N3c2ccccc2CC3C)N4CCOCC4
InChIInChI1.03InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1
InChIKeyInChI1.03UAXHPOBBKRWJGA-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4
SMILESCACTVS3.385C[CH]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4
SMILESOpenEye OEToolkits1.9.2CC1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4

218500

PDB entries from 2024-04-17

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