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

Systemtic Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-propyl-purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-propylpurine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-propyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H23N5O2/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/h6-10H,5,11-12H2,1-4H3