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

Systemtic Name: 3-methyl-1-(phenylmethyl)-8-piperazin-1-yl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1-benzyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-1-(phenylmethyl)-8-(1-piperazinyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1-benzyl-3-methyl-8-piperazin-1-yl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-benzyl-3-methyl-8-piperazino-xanthine Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC=C

InChI

InChI=1S/C20H24N6O2/c1-3-11-25-16-17(22-19(25)24-12-9-21-10-13-24)23(2)20(28)26(18(16)27)14-15-7-5-4-6-8-15/h3-8,21H,1,9-14H2,2H3