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

Systemtic Name: 3-[8-(2-methoxyethyl)-7-oxidanylidene-2-piperazin-1-yl-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-methoxyethyl)-7-oxo-2-piperazin-1-yl-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(2-methoxyethyl)-7-oxo-2-(1-piperazinyl)-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(2-methoxyethyl)-7-oxo-2-piperazin-1-ylpteridin-6-yl]benzonitrile Traditional Name: 3-[7-keto-8-(2-methoxyethyl)-2-piperazino-pteridin-6-yl]benzonitrile Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC(=C3)C#N)N4CCNCC4

Isomeric SMILES

COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC(=C3)C#N)N4CCNCC4

InChI

InChI=1S/C20H21N7O2/c1-29-10-9-27-18-16(13-23-20(25-18)26-7-5-22-6-8-26)24-17(19(27)28)15-4-2-3-14(11-15)12-21/h2-4,11,13,22H,5-10H2,1H3