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

Systemtic Name: 3-methyl-8-(2-methylpiperidin-1-yl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-(2-methyl-1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-8-(2-methyl-1-piperidinyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylpiperidin-1-yl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(2-methylpiperidino)xanthine Formula: C15H21N5O2 MolecularWeight: 303.35954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCCN1C2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

InChI

InChI=1S/C15H21N5O2/c1-4-8-20-11-12(18(3)15(22)17-13(11)21)16-14(20)19-9-6-5-7-10(19)2/h4,10H,1,5-9H2,2-3H3,(H,17,21,22)