8-(3-methylthiophen-2-yl)-7-(2-morpholin-4-ylethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(3-methylthiophen-2-yl)-7-(2-morpholin-4-ylethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(3-methyl-2-thienyl)-7-(2-morpholinoethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(3-methyl-2-thiophenyl)-7-[2-(4-morpholinyl)ethyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(3-methylthiophen-2-yl)-7-(2-morpholin-4-ylethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(3-methyl-2-thienyl)-7-(2-morpholinoethyl)-3-propyl-xanthine Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C=CS3)C)CCN4CCOCC4

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C=CS3)C)CCN4CCOCC4

InChI

InChI=1S/C19H25N5O3S/c1-3-5-24-16-14(18(25)21-19(24)26)23(7-6-22-8-10-27-11-9-22)17(20-16)15-13(2)4-12-28-15/h4,12H,3,5-11H2,1-2H3,(H,21,25,26)