4-azanyl-6-bromanyl-7-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-bromanyl-7-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-bromo-7-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-6-bromo-7-[(4-tert-butylphenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-6-bromo-7-[(4-tert-butylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-bromo-7-(4-tert-butylbenzyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C18H18BrN5 MolecularWeight: 384.27302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=C2Br)C#N)C(=NC=N3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=C2Br)C#N)C(=NC=N3)N

InChI

InChI=1S/C18H18BrN5/c1-18(2,3)12-6-4-11(5-7-12)9-24-15(19)13(8-20)14-16(21)22-10-23-17(14)24/h4-7,10H,9H2,1-3H3,(H2,21,22,23)