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

Systemtic Name: 1-(2-hydroxyethyl)-3-methyl-8-piperazin-1-yl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1-(2-hydroxyethyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-(2-hydroxyethyl)-3-methyl-8-(1-piperazinyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1-(2-hydroxyethyl)-3-methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-(2-hydroxyethyl)-3-methyl-8-piperazino-xanthine Formula: C15H22N6O3 MolecularWeight: 334.37358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCO)N(C(=N2)N3CCNCC3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCO)N(C(=N2)N3CCNCC3)CC=C

InChI

InChI=1S/C15H22N6O3/c1-3-6-20-11-12(17-14(20)19-7-4-16-5-8-19)18(2)15(24)21(9-10-22)13(11)23/h3,16,22H,1,4-10H2,2H3