butyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-8-piperidin-1-yl-purin-1-yl]ethanoate

Systemtic Name: butyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-8-piperidin-1-yl-purin-1-yl]ethanoate Openeye Name: butyl 2-[7-benzyl-3-methyl-2,6-dioxo-8-(1-piperidyl)purin-1-yl]acetate CAS Name: 2-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-(1-piperidinyl)-1-purinyl]acetic acid butyl ester IUPAC Name: butyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate Traditional Name: 2-(7-benzyl-2,6-diketo-3-methyl-8-piperidino-purin-1-yl)acetic acid butyl ester Formula: C24H31N5O4 MolecularWeight: 453.53404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCCC4)N(C1=O)C

Isomeric SMILES

CCCCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCCC4)N(C1=O)C

InChI

InChI=1S/C24H31N5O4/c1-3-4-15-33-19(30)17-29-22(31)20-21(26(2)24(29)32)25-23(27-13-9-6-10-14-27)28(20)16-18-11-7-5-8-12-18/h5,7-8,11-12H,3-4,6,9-10,13-17H2,1-2H3