tert-butyl 4-[9-(ethoxymethyl)-2-methoxy-6H-purin-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[9-(ethoxymethyl)-2-methoxy-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[9-(ethoxymethyl)-2-methoxy-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[9-(ethoxymethyl)-2-methoxy-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[9-(ethoxymethyl)-2-methoxy-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[9-(ethoxymethyl)-2-methoxy-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H30N6O4 MolecularWeight: 394.4686

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1N=C(N(C2)N3CCN(CC3)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCOCN1C=NC2=C1N=C(N(C2)N3CCN(CC3)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C18H30N6O4/c1-6-27-13-22-12-19-14-11-24(16(26-5)20-15(14)22)23-9-7-21(8-10-23)17(25)28-18(2,3)4/h12H,6-11,13H2,1-5H3