3-methyl-1-(phenylmethyl)-8-piperidin-1-yl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(phenylmethyl)-8-piperidin-1-yl-7-propan-2-yl-purine-2,6-dione Openeye Name: 1-benzyl-7-isopropyl-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-1-(phenylmethyl)-8-(1-piperidinyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1-benzyl-3-methyl-8-piperidin-1-yl-7-propan-2-ylpurine-2,6-dione Traditional Name: 1-benzyl-7-isopropyl-3-methyl-8-piperidino-xanthine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H27N5O2/c1-15(2)26-17-18(22-20(26)24-12-8-5-9-13-24)23(3)21(28)25(19(17)27)14-16-10-6-4-7-11-16/h4,6-7,10-11,15H,5,8-9,12-14H2,1-3H3