7-butyl-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-7-butyl-3-methyl-purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-7-butyl-3-methylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-7-butyl-3-methyl-xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H29N5O2/c1-3-4-12-27-18-19(25(2)22(29)24-20(18)28)23-21(27)26-13-10-17(11-14-26)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,24,28,29)