8-(1-benzothiophen-2-yl)-1-methyl-9-propyl-3H-purine-2,6-dione

Systemtic Name: 8-(1-benzothiophen-2-yl)-1-methyl-9-propyl-3H-purine-2,6-dione Openeye Name: 8-(benzothiophen-2-yl)-1-methyl-9-propyl-3H-purine-2,6-dione CAS Name: 8-(1-benzothiophen-2-yl)-1-methyl-9-propyl-3H-purine-2,6-dione IUPAC Name: 8-(1-benzothiophen-2-yl)-1-methyl-9-propyl-3H-purine-2,6-dione Traditional Name: 8-(benzothiophen-2-yl)-1-methyl-9-propyl-xanthine Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N4O2S/c1-3-8-21-14(12-9-10-6-4-5-7-11(10)24-12)18-13-15(21)19-17(23)20(2)16(13)22/h4-7,9H,3,8H2,1-2H3,(H,19,23)