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

Systemtic Name: 4-azanyl-6-bromanyl-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-bromo-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-6-bromo-7-[(3-nitrophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-6-bromo-7-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-bromo-7-(3-nitrobenzyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C14H9BrN6O2 MolecularWeight: 373.16426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C3=C(C(=C2Br)C#N)C(=NC=N3)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C3=C(C(=C2Br)C#N)C(=NC=N3)N

InChI

InChI=1S/C14H9BrN6O2/c15-12-10(5-16)11-13(17)18-7-19-14(11)20(12)6-8-2-1-3-9(4-8)21(22)23/h1-4,7H,6H2,(H2,17,18,19)