7-butyl-8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-(homoveratrylamino)-3-methyl-xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NCCC3=CC(=C(C=C3)OC)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NCCC3=CC(=C(C=C3)OC)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H27N5O4/c1-5-6-11-25-16-17(24(2)20(27)23-18(16)26)22-19(25)21-10-9-13-7-8-14(28-3)15(12-13)29-4/h7-8,12H,5-6,9-11H2,1-4H3,(H,21,22)(H,23,26,27)