tert-butyl 3-[4-azanyl-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-azanyl-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate CAS Name: 3-[4-amino-5-(4-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate Traditional Name: 3-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H27N5O3/c1-22(2,3)30-21(28)26-10-9-15(11-26)27-12-17(14-5-7-16(29-4)8-6-14)18-19(23)24-13-25-20(18)27/h5-8,12-13,15H,9-11H2,1-4H3,(H2,23,24,25)