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

Systemtic Name: methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]benzoate Openeye Name: methyl 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)benzoate CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]benzoic acid methyl ester IUPAC Name: methyl 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)benzoate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-piperazino-purin-7-yl)benzoic acid methyl ester Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C19H22N6O4/c1-22-15-14(16(26)23(2)19(22)28)25(18(21-15)24-10-8-20-9-11-24)13-7-5-4-6-12(13)17(27)29-3/h4-7,20H,8-11H2,1-3H3