methyl 3-[3,9-dimethyl-2,6-bis(oxidanylidene)-8-(4-piperidin-4-ylphenyl)purin-1-yl]propanoate

Systemtic Name: methyl 3-[3,9-dimethyl-2,6-bis(oxidanylidene)-8-(4-piperidin-4-ylphenyl)purin-1-yl]propanoate Openeye Name: methyl 3-[3,9-dimethyl-2,6-dioxo-8-[4-(4-piperidyl)phenyl]purin-1-yl]propanoate CAS Name: 3-[3,9-dimethyl-2,6-dioxo-8-[4-(4-piperidinyl)phenyl]-1-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,9-dimethyl-2,6-dioxo-8-(4-piperidin-4-ylphenyl)purin-1-yl]propanoate Traditional Name: 3-[2,6-diketo-3,9-dimethyl-8-[4-(4-piperidyl)phenyl]purin-1-yl]propionic acid methyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)CCC(=O)OC)N=C1C3=CC=C(C=C3)C4CCNCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)CCC(=O)OC)N=C1C3=CC=C(C=C3)C4CCNCC4

InChI

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