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

Systemtic Name: 3-methyl-1,7-bis(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-1,7-bis(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-1,7-bis(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-1,7-bis(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-1,7-bis(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C20H30N6O2 MolecularWeight: 386.4912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O2/c1-14(2)6-10-25-16-17(22-19(25)24-12-8-21-9-13-24)23(5)20(28)26(18(16)27)11-7-15(3)4/h6-7,21H,8-13H2,1-5H3