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1,3-dimethyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-(2-morpholin-4-ylethyl)purine-2,6-dione
1,3-dimethyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-(2-morpholin-4-ylethyl)purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CC1CCC[NH+](C1)CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C
Isomeric SMILES
C[C@H]1CCC[NH+](C1)CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C20H32N6O3/c1-15-5-4-6-25(13-15)14-16-21-18-17(19(27)23(3)20(28)22(18)2)26(16)8-7-24-9-11-29-12-10-24/h15H,4-14H2,1-3H3/p+1/t15-/m0/s1
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