3-butyl-7-methyl-8-[(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-[(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-[[5-(2-thienyl)tetrazol-2-yl]methyl]purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-[(5-thiophen-2-yl-2-tetrazolyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-[(5-thiophen-2-yltetrazol-2-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-[[5-(2-thienyl)tetrazol-2-yl]methyl]xanthine Formula: C16H18N8O2S MolecularWeight: 386.43152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3N=C(N=N3)C4=CC=CS4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3N=C(N=N3)C4=CC=CS4)C

InChI

InChI=1S/C16H18N8O2S/c1-3-4-7-23-14-12(15(25)18-16(23)26)22(2)11(17-14)9-24-20-13(19-21-24)10-6-5-8-27-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,25,26)