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

Systemtic Name: 3-[6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-6-(4-methoxyphenyl)-2-(4-methylpiperazino)pteridin-8-yl]propionitrile Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O2/c1-26-10-12-27(13-11-26)21-23-14-17-19(25-21)28(9-3-8-22)20(29)18(24-17)15-4-6-16(30-2)7-5-15/h4-7,14H,3,9-13H2,1-2H3