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

Systemtic Name: 8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3/c1-27-21-20(22(31)26-24(27)32)29(14-8-13-18-9-4-2-5-10-18)23(25-21)28(15-16-30)17-19-11-6-3-7-12-19/h2-7,9-12,30H,8,13-17H2,1H3,(H,26,31,32)