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

Systemtic Name: 3-[8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(2-methoxyethyl)-2-(4-methyl-1-piperazinyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[7-keto-8-(2-methoxyethyl)-2-(4-methylpiperazino)pteridin-6-yl]benzonitrile 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=CC(=C4)C#N)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O2/c1-26-6-8-27(9-7-26)21-23-14-17-19(25-21)28(10-11-30-2)20(29)18(24-17)16-5-3-4-15(12-16)13-22/h3-5,12,14H,6-11H2,1-2H3