3-[6-(4-chlorophenyl)-7-oxidanylidene-2-piperazin-1-yl-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[6-(4-chlorophenyl)-7-oxidanylidene-2-piperazin-1-yl-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(4-chlorophenyl)-7-oxo-2-piperazin-1-yl-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-chlorophenyl)-7-oxo-2-(1-piperazinyl)-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-chlorophenyl)-7-oxo-2-piperazin-1-ylpteridin-8-yl]propanenitrile Traditional Name: 3-[6-(4-chlorophenyl)-7-keto-2-piperazino-pteridin-8-yl]propionitrile Formula: C19H18ClN7O MolecularWeight: 395.84552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)CCC#N

Isomeric SMILES

C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)CCC#N

InChI

InChI=1S/C19H18ClN7O/c20-14-4-2-13(3-5-14)16-18(28)27(9-1-6-21)17-15(24-16)12-23-19(25-17)26-10-7-22-8-11-26/h2-5,12,22H,1,7-11H2