8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(2-methylbenzyl)xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2N(CCO)CC4=CC=CC=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2N(CCO)CC4=CC=CC=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C23H25N5O3/c1-16-8-6-7-11-18(16)15-28-19-20(26(2)23(31)25-21(19)30)24-22(28)27(12-13-29)14-17-9-4-3-5-10-17/h3-11,29H,12-15H2,1-2H3,(H,25,30,31)