1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperidinyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(4-methylpiperidino)xanthine Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H23N5O2/c1-5-8-21-12-13(18(3)16(23)19(4)14(12)22)17-15(21)20-9-6-11(2)7-10-20/h5,11H,1,6-10H2,2-4H3