3-methyl-7-(phenylmethyl)-8-(4-propylpiperazin-4-ium-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-(4-propylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-(4-propylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(4-propyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(4-propylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(4-propylpiperazin-4-ium-1-yl)xanthine Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H26N6O2/c1-3-9-24-10-12-25(13-11-24)19-21-17-16(18(27)22-20(28)23(17)2)26(19)14-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,22,27,28)/p+1