3-(7-oxidanylidene-2-piperazin-1-yl-6-thiophen-2-yl-pteridin-8-yl)propanenitrile

Systemtic Name: 3-(7-oxidanylidene-2-piperazin-1-yl-6-thiophen-2-yl-pteridin-8-yl)propanenitrile Openeye Name: 3-[7-oxo-2-piperazin-1-yl-6-(2-thienyl)pteridin-8-yl]propanenitrile CAS Name: 3-[7-oxo-2-(1-piperazinyl)-6-thiophen-2-yl-8-pteridinyl]propanenitrile IUPAC Name: 3-(7-oxo-2-piperazin-1-yl-6-thiophen-2-ylpteridin-8-yl)propanenitrile Traditional Name: 3-[7-keto-2-piperazino-6-(2-thienyl)pteridin-8-yl]propionitrile Formula: C17H17N7OS MolecularWeight: 367.42818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

Isomeric SMILES

C1CN(CCN1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

InChI

InChI=1S/C17H17N7OS/c18-4-2-7-24-15-12(21-14(16(24)25)13-3-1-10-26-13)11-20-17(22-15)23-8-5-19-6-9-23/h1,3,10-11,19H,2,5-9H2