2-[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]acetonitrile CAS Name: 2-[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]acetonitrile Traditional Name: 2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]acetonitrile Formula: C12H10ClN5 MolecularWeight: 259.6943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N=C(N=C2N)N)CC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(N=C(N=C2N)N)CC#N)Cl

InChI

InChI=1S/C12H10ClN5/c13-8-3-1-7(2-4-8)10-9(5-6-14)17-12(16)18-11(10)15/h1-4H,5H2,(H4,15,16,17,18)