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

Systemtic Name: 3-[8-(4-methoxyphenyl)-7-oxidanylidene-2-piperazin-1-yl-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(4-methoxyphenyl)-7-oxo-2-piperazin-1-yl-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(4-methoxyphenyl)-7-oxo-2-(1-piperazinyl)-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(4-methoxyphenyl)-7-oxo-2-piperazin-1-ylpteridin-6-yl]benzonitrile Traditional Name: 3-[7-keto-8-(4-methoxyphenyl)-2-piperazino-pteridin-6-yl]benzonitrile Formula: C24H21N7O2 MolecularWeight: 439.46924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)N5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)N5CCNCC5

InChI

InChI=1S/C24H21N7O2/c1-33-19-7-5-18(6-8-19)31-22-20(15-27-24(29-22)30-11-9-26-10-12-30)28-21(23(31)32)17-4-2-3-16(13-17)14-25/h2-8,13,15,26H,9-12H2,1H3