N-[6-azanyl-5-cyano-2-(3-pyrazol-1-ylpropylamino)-4-thiophen-2-yl-4H-pyran-3-yl]benzamide

Systemtic Name: N-[6-azanyl-5-cyano-2-(3-pyrazol-1-ylpropylamino)-4-thiophen-2-yl-4H-pyran-3-yl]benzamide Openeye Name: N-[6-amino-5-cyano-2-(3-pyrazol-1-ylpropylamino)-4-(2-thienyl)-4H-pyran-3-yl]benzamide CAS Name: N-[6-amino-5-cyano-2-[3-(1-pyrazolyl)propylamino]-4-thiophen-2-yl-4H-pyran-3-yl]benzamide IUPAC Name: N-[6-amino-5-cyano-2-(3-pyrazol-1-ylpropylamino)-4-thiophen-2-yl-4H-pyran-3-yl]benzamide Traditional Name: N-[6-amino-5-cyano-2-(3-pyrazol-1-ylpropylamino)-4-(2-thienyl)-4H-pyran-3-yl]benzamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(OC(=C(C2C3=CC=CS3)C#N)N)NCCCN4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(OC(=C(C2C3=CC=CS3)C#N)N)NCCCN4C=CC=N4

InChI

InChI=1S/C23H22N6O2S/c24-15-17-19(18-9-4-14-32-18)20(28-22(30)16-7-2-1-3-8-16)23(31-21(17)25)26-10-5-12-29-13-6-11-27-29/h1-4,6-9,11,13-14,19,26H,5,10,12,25H2,(H,28,30)