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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

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