3-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]-4-chloranyl-benzenecarbonitrile

Systemtic Name: 3-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]-4-chloranyl-benzenecarbonitrile Openeye Name: 4-chloro-3-(2,4-diamino-6-methyl-pyrimidin-5-yl)benzonitrile CAS Name: 4-chloro-3-(2,4-diamino-6-methyl-5-pyrimidinyl)benzonitrile IUPAC Name: 4-chloro-3-(2,4-diamino-6-methylpyrimidin-5-yl)benzonitrile Traditional Name: 4-chloro-3-(2,4-diamino-6-methyl-pyrimidin-5-yl)benzonitrile Formula: C12H10ClN5 MolecularWeight: 259.6943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C2=C(C=CC(=C2)C#N)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C2=C(C=CC(=C2)C#N)Cl

InChI

InChI=1S/C12H10ClN5/c1-6-10(11(15)18-12(16)17-6)8-4-7(5-14)2-3-9(8)13/h2-4H,1H3,(H4,15,16,17,18)