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

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-8-piperidin-1-yl-purin-1-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-3-31-17(28)15-27-20(29)18-19(24(2)22(27)30)23-21(25-12-8-5-9-13-25)26(18)14-16-10-6-4-7-11-16/h4,6-7,10-11H,3,5,8-9,12-15H2,1-2H3