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

Systemtic Name: 3-[6-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(1-methyl-3-indolyl)-2-(4-methyl-1-piperazinyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-6-(1-methylindol-3-yl)-2-(4-methylpiperazino)pteridin-8-yl]propionitrile Formula: C23H24N8O MolecularWeight: 428.48966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CN(C5=CC=CC=C54)C)CCC#N

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CN(C5=CC=CC=C54)C)CCC#N

InChI

InChI=1S/C23H24N8O/c1-28-10-12-30(13-11-28)23-25-14-18-21(27-23)31(9-5-8-24)22(32)20(26-18)17-15-29(2)19-7-4-3-6-16(17)19/h3-4,6-7,14-15H,5,9-13H2,1-2H3