1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[benzyl(methyl)amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[benzyl(methyl)amino]-1,3-dimethyl-xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2/c1-5-11-23-14-15(21(3)18(25)22(4)16(14)24)19-17(23)20(2)12-13-9-7-6-8-10-13/h5-10H,1,11-12H2,2-4H3