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

Systemtic Name: 3-methyl-8-(4-methylpiperidin-1-yl)-1-(phenylmethyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 1-benzyl-7-isopropyl-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperidinyl)-1-(phenylmethyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 1-benzyl-7-isopropyl-3-methyl-8-(4-methylpiperidino)xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4

InChI

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