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

Systemtic Name: methyl 2-[7-butan-2-yl-2,6-bis(oxidanylidene)-1-phenacyl-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: methyl 2-(2,6-dioxo-1-phenacyl-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)acetate CAS Name: 2-[7-butan-2-yl-2,6-dioxo-1-phenacyl-8-(1-piperazinyl)-3-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(7-butan-2-yl-2,6-dioxo-1-phenacyl-8-piperazin-1-ylpurin-3-yl)acetate Traditional Name: 2-(2,6-diketo-1-phenacyl-8-piperazino-7-sec-butyl-purin-3-yl)acetic acid methyl ester Formula: C24H30N6O5 MolecularWeight: 482.5322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)CC(=O)OC

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)CC(=O)OC

InChI

InChI=1S/C24H30N6O5/c1-4-16(2)30-20-21(26-23(30)27-12-10-25-11-13-27)28(15-19(32)35-3)24(34)29(22(20)33)14-18(31)17-8-6-5-7-9-17/h5-9,16,25H,4,10-15H2,1-3H3