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

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c1-26(16-18-12-7-4-8-13-18)22-24-20-19(21(29)25-23(30)27(20)2)28(22)15-9-14-17-10-5-3-6-11-17/h3-8,10-13H,9,14-16H2,1-2H3,(H,25,29,30)