4-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]butanoic acid

Systemtic Name: 4-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]butanoic acid Openeye Name: 4-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-yl-purin-3-yl]butanoic acid CAS Name: 4-[7-(2-chlorophenyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]butanoic acid IUPAC Name: 4-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]butanoic acid Traditional Name: 4-[7-(2-chlorophenyl)-2,6-diketo-8-piperazino-purin-3-yl]butyric acid Formula: C19H21ClN6O4 MolecularWeight: 432.86084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CCCC(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CCCC(=O)O

InChI

InChI=1S/C19H21ClN6O4/c20-12-4-1-2-5-13(12)26-15-16(22-18(26)24-10-7-21-8-11-24)25(9-3-6-14(27)28)19(30)23-17(15)29/h1-2,4-5,21H,3,6-11H2,(H,27,28)(H,23,29,30)