methyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]methyl]-2-methoxy-benzoate Openeye Name: methyl 4-[(1,3-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)methyl]-2-methoxy-benzoate CAS Name: 4-[[1,3-dimethyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)methyl]-2-methoxybenzoate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-8-piperazino-purin-7-yl)methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC(=C(C=C4)C(=O)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC(=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C21H26N6O5/c1-24-17-16(18(28)25(2)21(24)30)27(20(23-17)26-9-7-22-8-10-26)12-13-5-6-14(19(29)32-4)15(11-13)31-3/h5-6,11,22H,7-10,12H2,1-4H3