3-(8-cyclopropyl-7-oxidanylidene-2-piperazin-1-yl-pteridin-6-yl)benzenecarbonitrile

Systemtic Name: 3-(8-cyclopropyl-7-oxidanylidene-2-piperazin-1-yl-pteridin-6-yl)benzenecarbonitrile Openeye Name: 3-(8-cyclopropyl-7-oxo-2-piperazin-1-yl-pteridin-6-yl)benzonitrile CAS Name: 3-[8-cyclopropyl-7-oxo-2-(1-piperazinyl)-6-pteridinyl]benzonitrile IUPAC Name: 3-(8-cyclopropyl-7-oxo-2-piperazin-1-ylpteridin-6-yl)benzonitrile Traditional Name: 3-(8-cyclopropyl-7-keto-2-piperazino-pteridin-6-yl)benzonitrile Formula: C20H19N7O MolecularWeight: 373.41116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)N5CCNCC5

Isomeric SMILES

C1CC1N2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)N5CCNCC5

InChI

InChI=1S/C20H19N7O/c21-11-13-2-1-3-14(10-13)17-19(28)27(15-4-5-15)18-16(24-17)12-23-20(25-18)26-8-6-22-7-9-26/h1-3,10,12,15,22H,4-9H2