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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C(=O)C2=C(N=C(N2C3=CC=CC=C3Cl)N4CCNCC4)N(C1=O)C

Isomeric SMILES

CCC(=O)ON1C(=O)C2=C(N=C(N2C3=CC=CC=C3Cl)N4CCNCC4)N(C1=O)C

InChI

InChI=1S/C19H21ClN6O4/c1-3-14(27)30-26-17(28)15-16(23(2)19(26)29)22-18(24-10-8-21-9-11-24)25(15)13-7-5-4-6-12(13)20/h4-7,21H,3,8-11H2,1-2H3