2-[3-methyl-2,6-bis(oxidanylidene)-8-[4-(phenylmethyl)piperidin-1-yl]purin-7-yl]ethanoate

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-[4-(phenylmethyl)piperidin-1-yl]purin-7-yl]ethanoate Openeye Name: 2-[8-(4-benzyl-1-piperidyl)-3-methyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-[4-(phenylmethyl)-1-piperidinyl]-7-purinyl]acetate IUPAC Name: 2-[8-(4-benzylpiperidin-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-(4-benzylpiperidino)-2,6-diketo-3-methyl-purin-7-yl]acetate Formula: C20H22N5O4- MolecularWeight: 396.41978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C20H23N5O4/c1-23-17-16(18(28)22-20(23)29)25(12-15(26)27)19(21-17)24-9-7-14(8-10-24)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,26,27)(H,22,28,29)/p-1