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

Systemtic Name: 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-methyl-2-(4-methyl-1-piperazinyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-6-methyl-2-(4-methylpiperazino)pteridin-8-yl]propionitrile Formula: C15H19N7O MolecularWeight: 313.35766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N=C2N(C1=O)CCC#N)N3CCN(CC3)C

Isomeric SMILES

CC1=NC2=CN=C(N=C2N(C1=O)CCC#N)N3CCN(CC3)C

InChI

InChI=1S/C15H19N7O/c1-11-14(23)22(5-3-4-16)13-12(18-11)10-17-15(19-13)21-8-6-20(2)7-9-21/h10H,3,5-9H2,1-2H3