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

Systemtic Name: 8-(3-ethoxypropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3-ethoxypropylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-ethoxypropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-ethoxypropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-ethoxypropylamino)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3/c1-4-27-10-6-9-20-18-21-16-15(17(25)22-19(26)23(16)3)24(18)12-14-8-5-7-13(2)11-14/h5,7-8,11H,4,6,9-10,12H2,1-3H3,(H,20,21)(H,22,25,26)