7-(2-methoxyethyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-1-[2-keto-2-(4-methylpiperidino)ethyl]-7-(2-methoxyethyl)xanthine Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O4/c1-17-8-10-25(11-9-17)19(29)15-28-22(30)20-21(24-16-26(20)12-13-32-2)27(23(28)31)14-18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3