tert-butyl 4-(9-methyl-6-pyrrolidin-2-yl-6H-purin-1-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(9-methyl-6-pyrrolidin-2-yl-6H-purin-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(9-methyl-6-pyrrolidin-2-yl-6H-purin-1-yl)piperazine-1-carboxylate CAS Name: 4-[9-methyl-6-(2-pyrrolidinyl)-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(9-methyl-6-pyrrolidin-2-yl-6H-purin-1-yl)piperazine-1-carboxylate Traditional Name: 4-(9-methyl-6-pyrrolidin-2-yl-6H-purin-1-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H31N7O2 MolecularWeight: 389.49514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2C=NC3=C(C2C4CCCN4)N=CN3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2C=NC3=C(C2C4CCCN4)N=CN3C

InChI

InChI=1S/C19H31N7O2/c1-19(2,3)28-18(27)24-8-10-25(11-9-24)26-13-22-17-15(21-12-23(17)4)16(26)14-6-5-7-20-14/h12-14,16,20H,5-11H2,1-4H3