ethyl 4-[3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[3-methyl-7-[2-methyl-3-(phenylthio)propyl]-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-7-(2-methyl-3-phenylsulfanylpropyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-3-methyl-7-[2-methyl-3-(phenylthio)propyl]purin-8-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H30N6O4S/c1-4-33-23(32)28-12-10-27(11-13-28)21-24-19-18(20(30)25-22(31)26(19)3)29(21)14-16(2)15-34-17-8-6-5-7-9-17/h5-9,16H,4,10-15H2,1-3H3,(H,25,30,31)