3,7-dimethyl-1-(2-piperidin-1-ylethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(2-piperidin-1-ylethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-(1-piperidyl)ethyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-(1-piperidinyl)ethyl]-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(2-piperidin-1-ylethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(2-piperidinoethyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C20H29N7O2 MolecularWeight: 399.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCN4CCCCC4)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCN4CCCCC4)C

InChI

InChI=1S/C20H29N7O2/c1-13-14(2)22-27(15(13)3)19-21-17-16(23(19)4)18(28)26(20(29)24(17)5)12-11-25-9-7-6-8-10-25/h6-12H2,1-5H3