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

Systemtic Name: methyl 2-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: methyl 2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-yl-purin-3-yl]acetate CAS Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetate Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-8-piperazino-purin-3-yl]acetic acid methyl ester Formula: C18H19ClN6O4 MolecularWeight: 418.83426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H19ClN6O4/c1-29-13(26)10-24-15-14(16(27)22-18(24)28)25(12-5-3-2-4-11(12)19)17(21-15)23-8-6-20-7-9-23/h2-5,20H,6-10H2,1H3,(H,22,27,28)