7-[(E)-3-chloranylbut-2-enyl]-3-methyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-3-methyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-(2-morpholinoethylsulfanyl)purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-[2-(4-morpholinyl)ethylthio]purine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-(2-morpholinoethylthio)xanthine Formula: C16H22ClN5O3S MolecularWeight: 399.89558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1SCCN3CCOCC3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1SCCN3CCOCC3)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C16H22ClN5O3S/c1-11(17)3-4-22-12-13(20(2)15(24)19-14(12)23)18-16(22)26-10-7-21-5-8-25-9-6-21/h3H,4-10H2,1-2H3,(H,19,23,24)/b11-3+