4-azanyl-6-bromanyl-7-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: 4-azanyl-6-bromanyl-7-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 4-amino-6-bromo-7-(p-tolylmethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 4-amino-6-bromo-7-[(4-methylphenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-amino-6-bromo-7-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 4-amino-6-bromo-7-(4-methylbenzyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C15H14BrN5O MolecularWeight: 360.20856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=C2Br)C(=O)N)C(=NC=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=C2Br)C(=O)N)C(=NC=N3)N

InChI

InChI=1S/C15H14BrN5O/c1-8-2-4-9(5-3-8)6-21-12(16)10(14(18)22)11-13(17)19-7-20-15(11)21/h2-5,7H,6H2,1H3,(H2,18,22)(H2,17,19,20)