1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[[(2R)-4-oxidanylbutan-2-yl]amino]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[[(2R)-4-oxidanylbutan-2-yl]amino]purine-2,6-dione Openeye Name: 8-[[(1R)-3-hydroxy-1-methyl-propyl]amino]-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-[[(2R)-4-hydroxybutan-2-yl]amino]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[[(2R)-4-hydroxybutan-2-yl]amino]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[[(1R)-3-hydroxy-1-methyl-propyl]amino]-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NC(C)CCO)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2N[C@H](C)CCO)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H25N5O3/c1-12-7-5-6-8-14(12)11-24-15-16(21-18(24)20-13(2)9-10-25)22(3)19(27)23(4)17(15)26/h5-8,13,25H,9-11H2,1-4H3,(H,20,21)/t13-/m1/s1