8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C17H27N6O3+ MolecularWeight: 363.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1N3CC[NH+](CC3)CCO)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1N3CC[NH+](CC3)CCO)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H26N6O3/c1-12(2)11-23-13-14(19(3)17(26)20(4)15(13)25)18-16(23)22-7-5-21(6-8-22)9-10-24/h24H,1,5-11H2,2-4H3/p+1