1-methyl-8-(5-methylthiophen-2-yl)-9-propyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-8-(5-methylthiophen-2-yl)-9-propyl-3H-purine-2,6-dione Openeye Name: 1-methyl-8-(5-methyl-2-thienyl)-9-propyl-3H-purine-2,6-dione CAS Name: 1-methyl-8-(5-methyl-2-thiophenyl)-9-propyl-3H-purine-2,6-dione IUPAC Name: 1-methyl-8-(5-methylthiophen-2-yl)-9-propyl-3H-purine-2,6-dione Traditional Name: 1-methyl-8-(5-methyl-2-thienyl)-9-propyl-xanthine Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(S3)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=C(S3)C

InChI

InChI=1S/C14H16N4O2S/c1-4-7-18-11(9-6-5-8(2)21-9)15-10-12(18)16-14(20)17(3)13(10)19/h5-6H,4,7H2,1-3H3,(H,16,20)