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Summary Geometry Related PDB entries

IHV

Summary

Name:	2,3,5-trimethyl-6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyrazine
Formula:	C19 H24 N4
Formal charge:	0
Formula weight:	308.421 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2,3,5-trimethyl-6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyrazine
OpenEye OEToolkits	2.0.7	2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]pyrazine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN1CC(N=C1CCc1nc(C)c(C)nc1C)c1ccccc1
InChI	InChI	1.03	InChI=1S/C19H24N4/c1-13-14(2)21-17(15(3)20-13)10-11-19-22-18(12-23(19)4)16-8-6-5-7-9-16/h5-9,18H,10-12H2,1-4H3/t18-/m1/s1
InChIKey	InChI	1.03	PQAWQFZNQPHNCC-GOSISDBHSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C[C@@H](N=C1CCc2nc(C)c(C)nc2C)c3ccccc3
SMILES	CACTVS	3.385	CN1C[CH](N=C1CCc2nc(C)c(C)nc2C)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(nc(c(n1)C)CCC2=NC(CN2C)c3ccccc3)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc(c(n1)C)CCC2=NC(CN2C)c3ccccc3)C

221051

PDB entries from 2024-06-12

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