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

Systemtic Name: 8-(ethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(ethylamino)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(ethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(ethylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(ethylamino)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H21N5O2/c1-5-18-16-19-14-13(15(23)21(4)17(24)20(14)3)22(16)10-12-8-6-7-11(2)9-12/h6-9H,5,10H2,1-4H3,(H,18,19)