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

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxidanylidene-8-[[(2R)-oxolan-2-yl]methyl]pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxo-8-[[(2R)-tetrahydrofuran-2-yl]methyl]pteridin-6-yl]benzonitrile CAS Name: 3-[2-(4-methyl-1-piperazinyl)-7-oxo-8-[[(2R)-2-oxolanyl]methyl]-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxo-8-[[(2R)-oxolan-2-yl]methyl]pteridin-6-yl]benzonitrile Traditional Name: 3-[7-keto-2-(4-methylpiperazino)-8-[[(2R)-tetrahydrofuran-2-yl]methyl]pteridin-6-yl]benzonitrile Formula: C23H25N7O2 MolecularWeight: 431.4903

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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)CC5CCCO5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC(=C4)C#N)C[C@H]5CCCO5

InChI

InChI=1S/C23H25N7O2/c1-28-7-9-29(10-8-28)23-25-14-19-21(27-23)30(15-18-6-3-11-32-18)22(31)20(26-19)17-5-2-4-16(12-17)13-24/h2,4-5,12,14,18H,3,6-11,15H2,1H3/t18-/m1/s1