[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl] propanoate

Systemtic Name: [7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl] propanoate Openeye Name: (7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl) propanoate CAS Name: propanoic acid [7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl] ester IUPAC Name: (7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl) propanoate Traditional Name: propionic acid (7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl) ester Formula: C17H22N6O4 MolecularWeight: 374.39438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCC(=O)ON1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C17H22N6O4/c1-4-6-9-22-13-14(19-16(22)21-10-7-18-8-11-21)23(27-12(24)5-2)17(26)20(3)15(13)25/h18H,5,7-11H2,1-3H3