3-butyl-8-(hydroxymethyl)-1-(phenylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(hydroxymethyl)-1-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 1-benzyl-3-butyl-8-(hydroxymethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-(hydroxymethyl)-1-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 1-benzyl-3-butyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 1-benzyl-3-butyl-8-methylol-7-propyl-xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)CO)CCC

InChI

InChI=1S/C20H26N4O3/c1-3-5-12-23-18-17(22(11-4-2)16(14-25)21-18)19(26)24(20(23)27)13-15-9-7-6-8-10-15/h6-10,25H,3-5,11-14H2,1-2H3