7-[(E)-but-2-enyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-[(E)-but-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-[(E)-but-2-enyl]-3-methyl-xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21N5O2/c1-4-5-11-23-14-15(22(3)18(25)20-16(14)24)19-17(23)21(2)12-13-9-7-6-8-10-13/h4-10H,11-12H2,1-3H3,(H,20,24,25)/b5-4+