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

Systemtic Name: 3-[8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-[(3-methoxyphenyl)methyl]-2-(4-methyl-1-piperazinyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[7-keto-8-m-anisyl-2-(4-methylpiperazino)pteridin-6-yl]benzonitrile Formula: C26H25N7O2 MolecularWeight: 467.5224

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC(=C4)C#N)CC5=CC(=CC=C5)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC(=C4)C#N)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C26H25N7O2/c1-31-9-11-32(12-10-31)26-28-16-22-24(30-26)33(17-19-6-4-8-21(14-19)35-2)25(34)23(29-22)20-7-3-5-18(13-20)15-27/h3-8,13-14,16H,9-12,17H2,1-2H3