4-[4-(4-azanyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)phenoxy]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(4-azanyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)phenoxy]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(4-amino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)phenoxy]-3-nitro-benzonitrile CAS Name: 4-[4-(4-amino-5,6-dimethyl-7-pyrrolo[2,3-d]pyrimidinyl)phenoxy]-3-nitrobenzonitrile IUPAC Name: 4-[4-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)phenoxy]-3-nitrobenzonitrile Traditional Name: 4-[4-(4-amino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)phenoxy]-3-nitro-benzonitrile Formula: C21H16N6O3 MolecularWeight: 400.39014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)N)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)N)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C21H16N6O3/c1-12-13(2)26(21-19(12)20(23)24-11-25-21)15-4-6-16(7-5-15)30-18-8-3-14(10-22)9-17(18)27(28)29/h3-9,11H,1-2H3,(H2,23,24,25)