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

Systemtic Name: 8-(butylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(butylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(butylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(butylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(butylamino)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H23N5O2/c1-4-5-9-19-17-20-15-14(16(24)21-18(25)22(15)3)23(17)11-13-8-6-7-12(2)10-13/h6-8,10H,4-5,9,11H2,1-3H3,(H,19,20)(H,21,24,25)