8-[2-(hydroxymethyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[2-(hydroxymethyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[2-(hydroxymethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-(hydroxymethyl)-1-piperazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[2-(hydroxymethyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(2-methylolpiperazino)xanthine Formula: C15H22N6O3 MolecularWeight: 334.37358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3CO)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3CO)CC=C

InChI

InChI=1S/C15H22N6O3/c1-4-6-21-11-12(18(2)15(24)19(3)13(11)23)17-14(21)20-7-5-16-8-10(20)9-22/h4,10,16,22H,1,5-9H2,2-3H3