2-azanyl-4-(4-chlorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(4-chlorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(4-chlorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[(4-chlorophenyl)thio]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile IUPAC Name: 2-amino-4-(4-chlorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[(4-chlorophenyl)thio]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C13H8ClN5S MolecularWeight: 301.75412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC(=NC3=C2C(=CN3)C#N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC(=NC3=C2C(=CN3)C#N)N)Cl

InChI

InChI=1S/C13H8ClN5S/c14-8-1-3-9(4-2-8)20-12-10-7(5-15)6-17-11(10)18-13(16)19-12/h1-4,6H,(H3,16,17,18,19)