7-[(E)-but-2-enyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1N3CCC(CC3)C)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1N3CCC(CC3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H23N5O2/c1-4-5-8-21-12-13(19(3)16(23)18-14(12)22)17-15(21)20-9-6-11(2)7-10-20/h4-5,11H,6-10H2,1-3H3,(H,18,22,23)/b5-4+