Chemical ID: 6622397

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCOc3ccc4ccccc4c3
Chemical ID:
6622397
Name [?]:
1,3-dimethyl-7-[2-(2-naphthyloxy)ethyl]purine-2,6-dione
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCOc3ccc4ccccc4c3
InChi [?]:
InChI=1/C19H18N4O3/c1-21-17-16(18(24)22(2)19(21)25)23(12-20-17)9-10-26-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,22,23,21,24,19,18,14,15,26,12,20,25,17,4,3,5,8,13,2,7,11,6,9,16/rA:26nCNCCCONCOCNCNCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;s3d12;s11;s14;s15;s16;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N4O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1906
Area:547.68
Solvation:-3.5014
Coulombic:-56.8567
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:350.371
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.5
LogP (Chemaxon):3.03

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