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ZSD

Summary
Name:6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine
Formula:C18 H24 N8 O
Formal charge:0
Formula weight:368.436 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine
OpenEye OEToolkits2.0.76-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methyl-amino]methyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1cc(N)ncn1
InChIInChI1.03InChI=1S/C18H24N8O/c1-12-16(13(2)27-23-12)10-24(3)8-14-6-15-9-25(4-5-26(15)22-14)18-7-17(19)20-11-21-18/h6-7,11H,4-5,8-10H2,1-3H3,(H2,19,20,21)
InChIKeyInChI1.03UIAMVAYKSCWAMB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(Cc1cc2CN(CCn2n1)c3cc(N)ncn3)Cc4c(C)onc4C
SMILESCACTVS3.385CN(Cc1cc2CN(CCn2n1)c3cc(N)ncn3)Cc4c(C)onc4C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N
SMILESOpenEye OEToolkits2.0.7Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N

221051

PDB entries from 2024-06-12

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