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

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7-(2-methylallyl)xanthine Formula: C16H25N6O3+ MolecularWeight: 349.4081

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1N3CC[NH+](CC3)CCO)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1N3CC[NH+](CC3)CCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H24N6O3/c1-11(2)10-22-12-13(19(3)16(25)18-14(12)24)17-15(22)21-6-4-20(5-7-21)8-9-23/h23H,1,4-10H2,2-3H3,(H,18,24,25)/p+1