3-butyl-7-[(2-methoxyphenyl)methyl]-8-thiophen-3-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-thiophen-3-yl-purine-2,6-dione Openeye Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-(3-thienyl)purine-2,6-dione CAS Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-(3-thiophenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-thiophen-3-ylpurine-2,6-dione Traditional Name: 3-butyl-7-o-anisyl-8-(3-thienyl)xanthine Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC=C3)CC4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSC=C3)CC4=CC=CC=C4OC

InChI

InChI=1S/C21H22N4O3S/c1-3-4-10-24-19-17(20(26)23-21(24)27)25(18(22-19)15-9-11-29-13-15)12-14-7-5-6-8-16(14)28-2/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,23,26,27)