ethyl 4-(2-oxidanylidene-3-propylsulfanyl-7H-purin-8-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-oxidanylidene-3-propylsulfanyl-7H-purin-8-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-oxo-3-propylsulfanyl-7H-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-[2-oxo-3-(propylthio)-7H-purin-8-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-oxo-3-propylsulfanyl-7H-purin-8-yl)piperazine-1-carboxylate Traditional Name: 4-[2-keto-3-(propylthio)-7H-purin-8-yl]piperazine-1-carboxylic acid ethyl ester Formula: C15H22N6O3S MolecularWeight: 366.43858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C15H22N6O3S/c1-3-9-25-21-12-11(10-16-14(21)22)17-13(18-12)19-5-7-20(8-6-19)15(23)24-4-2/h10H,3-9H2,1-2H3,(H,17,18)