8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[4-(2-hydroxyethyl)piperazino]-1,3-dimethyl-xanthine Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CC=C

InChI

InChI=1S/C16H24N6O3/c1-4-5-22-12-13(18(2)16(25)19(3)14(12)24)17-15(22)21-8-6-20(7-9-21)10-11-23/h4,23H,1,5-11H2,2-3H3