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

Systemtic Name: 3-methyl-7-(2-oxidanylidenepropyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 7-acetonyl-8-(4-benzyl-1-piperidyl)-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-oxopropyl)-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-(4-benzylpiperidino)-3-methyl-xanthine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=O)CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H25N5O3/c1-14(27)13-26-17-18(24(2)21(29)23-19(17)28)22-20(26)25-10-8-16(9-11-25)12-15-6-4-3-5-7-15/h3-7,16H,8-13H2,1-2H3,(H,23,28,29)