3-(7-oxidanylidene-2-piperazin-1-yl-pteridin-8-yl)propanenitrile

Systemtic Name: 3-(7-oxidanylidene-2-piperazin-1-yl-pteridin-8-yl)propanenitrile Openeye Name: 3-(7-oxo-2-piperazin-1-yl-pteridin-8-yl)propanenitrile CAS Name: 3-[7-oxo-2-(1-piperazinyl)-8-pteridinyl]propanenitrile IUPAC Name: 3-(7-oxo-2-piperazin-1-ylpteridin-8-yl)propanenitrile Traditional Name: 3-(7-keto-2-piperazino-pteridin-8-yl)propionitrile Formula: C13H15N7O MolecularWeight: 285.3045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7O/c14-2-1-5-20-11(21)9-16-10-8-17-13(18-12(10)20)19-6-3-15-4-7-19/h8-9,15H,1,3-7H2