3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxidanylidene-2-pyridin-3-yl-ethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxidanylidene-2-pyridin-3-yl-ethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxo-2-(3-pyridyl)ethyl]-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-[2-oxo-2-(3-pyridinyl)ethyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxo-2-pyridin-3-ylethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-keto-2-(3-pyridyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CN=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CN=CC=C4)C)C

InChI

InChI=1S/C22H27N7O3/c1-15(2)6-10-28-18-19(25-21(28)27-11-8-23-9-12-27)26(3)22(32)29(20(18)31)14-17(30)16-5-4-7-24-13-16/h4-7,13,23H,8-12,14H2,1-3H3