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

Systemtic Name: methyl 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: methyl 2-(7-but-2-ynyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)acetate CAS Name: 2-[7-but-2-ynyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(7-but-2-ynyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)acetate Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-8-piperazino-purin-3-yl)acetic acid methyl ester Formula: C16H20N6O4 MolecularWeight: 360.3678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)CC(=O)OC

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)CC(=O)OC

InChI

InChI=1S/C16H20N6O4/c1-3-4-7-21-12-13(18-15(21)20-8-5-17-6-9-20)22(10-11(23)26-2)16(25)19-14(12)24/h17H,5-10H2,1-2H3,(H,19,24,25)