8-(dimethylamino)-3-methyl-1-(phenylmethyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-3-methyl-1-(phenylmethyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 1-benzyl-8-(dimethylamino)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-3-methyl-1-(phenylmethyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1-benzyl-8-(dimethylamino)-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 1-benzyl-8-(dimethylamino)-7-isopropyl-3-methyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N(C)C)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N(C)C)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H23N5O2/c1-12(2)23-14-15(19-17(23)20(3)4)21(5)18(25)22(16(14)24)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3