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2-[(3-ethyl-4-methyl-phenyl)amino]-7-(5-propoxypentyl)-3H-purin-6-one
2-[(3-ethyl-4-methyl-phenyl)amino]-7-(5-propoxypentyl)-3H-purin-6-one
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Descriptors Computed from Structure
Canonical SMILES:
CCCOCCCCCN1C=NC2=C1C(=O)N=C(N2)NC3=CC(=C(C=C3)C)CC
Isomeric SMILES
CCCOCCCCCN1C=NC2=C1C(=O)N=C(N2)NC3=CC(=C(C=C3)C)CC
InChI
InChI=1S/C22H31N5O2/c1-4-12-29-13-8-6-7-11-27-15-23-20-19(27)21(28)26-22(25-20)24-18-10-9-16(3)17(5-2)14-18/h9-10,14-15H,4-8,11-13H2,1-3H3,(H2,24,25,26,28)
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