ethyl 4-[6-(butylamino)-8,9-dimethyl-purin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(butylamino)-8,9-dimethyl-purin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(butylamino)-8,9-dimethyl-purin-2-yl]piperazine-1-carboxylate CAS Name: 4-[6-(butylamino)-8,9-dimethyl-2-purinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(butylamino)-8,9-dimethylpurin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(butylamino)-8,9-dimethyl-purin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H29N7O2 MolecularWeight: 375.46856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=C(N2C)C)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=C(N2C)C)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C18H29N7O2/c1-5-7-8-19-15-14-16(23(4)13(3)20-14)22-17(21-15)24-9-11-25(12-10-24)18(26)27-6-2/h5-12H2,1-4H3,(H,19,21,22)