5-chloranyl-3-(pent-4-ynylamino)-1-(phenylmethyl)pyrazin-2-one

Systemtic Name: 5-chloranyl-3-(pent-4-ynylamino)-1-(phenylmethyl)pyrazin-2-one Openeye Name: 1-benzyl-5-chloro-3-(pent-4-ynylamino)pyrazin-2-one CAS Name: 5-chloro-3-(pent-4-ynylamino)-1-(phenylmethyl)-2-pyrazinone IUPAC Name: 1-benzyl-5-chloro-3-(pent-4-ynylamino)pyrazin-2-one Traditional Name: 1-benzyl-5-chloro-3-(pent-4-ynylamino)pyrazin-2-one Formula: C16H16ClN3O MolecularWeight: 301.77074

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCNC1=NC(=CN(C1=O)CC2=CC=CC=C2)Cl

Isomeric SMILES

C#CCCCNC1=NC(=CN(C1=O)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C16H16ClN3O/c1-2-3-7-10-18-15-16(21)20(12-14(17)19-15)11-13-8-5-4-6-9-13/h1,4-6,8-9,12H,3,7,10-11H2,(H,18,19)