4-azanyl-7-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: 4-azanyl-7-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 4-amino-7-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 4-amino-7-[(4-tert-butylphenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-amino-7-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 4-amino-7-(4-tert-butylbenzyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=C2N=CN=C3N)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=C2N=CN=C3N)C(=O)N

InChI

InChI=1S/C18H21N5O/c1-18(2,3)12-6-4-11(5-7-12)8-23-9-13(16(20)24)14-15(19)21-10-22-17(14)23/h4-7,9-10H,8H2,1-3H3,(H2,20,24)(H2,19,21,22)