3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-7-[(1R)-1-phenylethyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-7-[(1R)-1-phenylethyl]purine-2,6-dione Openeye Name: 3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-7-[(1R)-1-phenylethyl]purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperazin-4-iumyl)-7-[(1R)-1-phenylethyl]purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-7-[(1R)-1-phenylethyl]purine-2,6-dione Traditional Name: 3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-7-[(1R)-1-phenylethyl]xanthine Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2N4CC[NH+](CC4)C)N(C(=O)NC3=O)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C3=C(N=C2N4CC[NH+](CC4)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H24N6O2/c1-13(14-7-5-4-6-8-14)25-15-16(23(3)19(27)21-17(15)26)20-18(25)24-11-9-22(2)10-12-24/h4-8,13H,9-12H2,1-3H3,(H,21,26,27)/p+1/t13-/m1/s1