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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C)NC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

InChI

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