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

Systemtic Name: methyl 2-[7-(2-chlorophenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: methyl 2-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl]acetate CAS Name: 2-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetate Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-1-methyl-8-piperazino-purin-3-yl]acetic acid methyl ester Formula: C19H21ClN6O4 MolecularWeight: 432.86084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3Cl)N4CCNCC4)N(C1=O)CC(=O)OC

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3Cl)N4CCNCC4)N(C1=O)CC(=O)OC

InChI

InChI=1S/C19H21ClN6O4/c1-23-17(28)15-16(25(19(23)29)11-14(27)30-2)22-18(24-9-7-21-8-10-24)26(15)13-6-4-3-5-12(13)20/h3-6,21H,7-11H2,1-2H3