7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H25N5O4/c1-23-18-17(19(28)24(2)21(23)29)26(20(22-18)25-10-5-4-6-11-25)13-16(27)14-8-7-9-15(12-14)30-3/h7-9,12H,4-6,10-11,13H2,1-3H3