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

Systemtic Name: 3-[6-(1-methylindol-3-yl)-7-oxidanylidene-2-piperazin-1-yl-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(1-methylindol-3-yl)-7-oxo-2-piperazin-1-yl-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(1-methyl-3-indolyl)-7-oxo-2-(1-piperazinyl)-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(1-methylindol-3-yl)-7-oxo-2-piperazin-1-ylpteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-6-(1-methylindol-3-yl)-2-piperazino-pteridin-8-yl]propionitrile Formula: C22H22N8O MolecularWeight: 414.46308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCC#N)N5CCNCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCC#N)N5CCNCC5

InChI

InChI=1S/C22H22N8O/c1-28-14-16(15-5-2-3-6-18(15)28)19-21(31)30(10-4-7-23)20-17(26-19)13-25-22(27-20)29-11-8-24-9-12-29/h2-3,5-6,13-14,24H,4,8-12H2,1H3