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

Systemtic Name: tert-butyl 3-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-(4-amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate CAS Name: 3-(4-amino-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate Traditional Name: 3-(4-amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H25N5O2 MolecularWeight: 379.4555

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-21(2,3)28-20(27)25-10-9-15(11-25)26-12-16(14-7-5-4-6-8-14)17-18(22)23-13-24-19(17)26/h4-8,12-13,15H,9-11H2,1-3H3,(H2,22,23,24)