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

Systemtic Name: 7-(3-methylbut-2-enyl)-3-(oxolan-2-ylmethyl)-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(3-methylbut-2-enyl)-1-phenethyl-8-piperazin-1-yl-3-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 7-(3-methylbut-2-enyl)-3-(2-oxolanylmethyl)-1-phenethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(3-methylbut-2-enyl)-3-(oxolan-2-ylmethyl)-1-phenethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(3-methylbut-2-enyl)-1-phenethyl-8-piperazino-3-(tetrahydrofurfuryl)xanthine Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC5CCCO5)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC5CCCO5)C

InChI

InChI=1S/C27H36N6O3/c1-20(2)10-14-31-23-24(29-26(31)30-16-12-28-13-17-30)33(19-22-9-6-18-36-22)27(35)32(25(23)34)15-11-21-7-4-3-5-8-21/h3-5,7-8,10,22,28H,6,9,11-19H2,1-2H3