1-(phenylmethyl)-N-[2-(pyrazin-2-ylamino)ethyl]-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-N-[2-(pyrazin-2-ylamino)ethyl]-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(pyrazin-2-ylamino)ethyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-[2-(2-pyrazinylamino)ethyl]-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(pyrazin-2-ylamino)ethyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(pyrazin-2-ylamino)ethyl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NCCNC4=NC=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NCCNC4=NC=CN=C4

InChI

InChI=1S/C21H20N6OS/c28-21(25-11-10-24-19-13-22-8-9-23-19)17-15-27(14-16-5-2-1-3-6-16)26-20(17)18-7-4-12-29-18/h1-9,12-13,15H,10-11,14H2,(H,23,24)(H,25,28)