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

Systemtic Name: tert-butyl 3-[4-azanyl-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate CAS Name: 3-[4-amino-5-(4-hydroxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate Traditional Name: 3-[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)25-9-8-14(10-25)26-11-16(13-4-6-15(27)7-5-13)17-18(22)23-12-24-19(17)26/h4-7,11-12,14,27H,8-10H2,1-3H3,(H2,22,23,24)