8-(3-ethoxypropylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOCCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H27N5O3/c1-5-28-11-7-10-21-19-22-17-16(18(26)24(4)20(27)23(17)3)25(19)13-15-9-6-8-14(2)12-15/h6,8-9,12H,5,7,10-11,13H2,1-4H3,(H,21,22)