(7-but-2-ynyl-2-chloranyl-9-methyl-8-oxidanylidene-purin-6-yl)-piperazin-2-yl-carbamic acid

Systemtic Name: (7-but-2-ynyl-2-chloranyl-9-methyl-8-oxidanylidene-purin-6-yl)-piperazin-2-yl-carbamic acid Openeye Name: (7-but-2-ynyl-2-chloro-9-methyl-8-oxo-purin-6-yl)-piperazin-2-yl-carbamic acid CAS Name: (7-but-2-ynyl-2-chloro-9-methyl-8-oxo-6-purinyl)-(2-piperazinyl)carbamic acid IUPAC Name: (7-but-2-ynyl-2-chloro-9-methyl-8-oxopurin-6-yl)-piperazin-2-ylcarbamic acid Traditional Name: (7-but-2-ynyl-2-chloro-8-keto-9-methyl-purin-6-yl)-piperazin-2-yl-carbamic acid Formula: C15H18ClN7O3 MolecularWeight: 379.80152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N(C3CNCCN3)C(=O)O)Cl)N(C1=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N(C3CNCCN3)C(=O)O)Cl)N(C1=O)C

InChI

InChI=1S/C15H18ClN7O3/c1-3-4-7-22-10-11(21(2)14(22)24)19-13(16)20-12(10)23(15(25)26)9-8-17-5-6-18-9/h9,17-18H,5-8H2,1-2H3,(H,25,26)