1-methyl-7-(3-methylbut-2-enyl)-3-(oxolan-2-ylmethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1-methyl-7-(3-methylbut-2-enyl)-3-(oxolan-2-ylmethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-3-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 1-methyl-7-(3-methylbut-2-enyl)-3-(2-oxolanylmethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-methyl-7-(3-methylbut-2-enyl)-3-(oxolan-2-ylmethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-methyl-7-(3-methylbut-2-enyl)-8-piperazino-3-(tetrahydrofurfuryl)xanthine Formula: C20H30N6O3 MolecularWeight: 402.4906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4CCCO4)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4CCCO4)C

InChI

InChI=1S/C20H30N6O3/c1-14(2)6-9-25-16-17(22-19(25)24-10-7-21-8-11-24)26(13-15-5-4-12-29-15)20(28)23(3)18(16)27/h6,15,21H,4-5,7-13H2,1-3H3