3-methyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-xanthine Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C23H25N5O4/c1-15-8-10-18(11-9-15)32-14-17(29)13-28-19-20(27(2)23(31)26-21(19)30)25-22(28)24-12-16-6-4-3-5-7-16/h3-11,17,29H,12-14H2,1-2H3,(H,24,25)(H,26,30,31)/t17-/m0/s1