N,N-dimethyl-N'-[4-(phenylmethylsulfanyl)-6-(prop-2-enylamino)pyrimidin-2-yl]methanimidamide

Systemtic Name: N,N-dimethyl-N'-[4-(phenylmethylsulfanyl)-6-(prop-2-enylamino)pyrimidin-2-yl]methanimidamide Openeye Name: N'-[4-(allylamino)-6-benzylsulfanyl-pyrimidin-2-yl]-N,N-dimethyl-formamidine CAS Name: N,N-dimethyl-N'-[4-(phenylmethylthio)-6-(prop-2-enylamino)-2-pyrimidinyl]methanimidamide IUPAC Name: N'-[4-benzylsulfanyl-6-(prop-2-enylamino)pyrimidin-2-yl]-N,N-dimethylmethanimidamide Traditional Name: N'-[4-(allylamino)-6-(benzylthio)pyrimidin-2-yl]-N,N-dimethyl-formamidine Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=NC(=CC(=N1)SCC2=CC=CC=C2)NCC=C

Isomeric SMILES

CN(C)/C=N/C1=NC(=CC(=N1)SCC2=CC=CC=C2)NCC=C

InChI

InChI=1S/C17H21N5S/c1-4-10-18-15-11-16(21-17(20-15)19-13-22(2)3)23-12-14-8-6-5-7-9-14/h4-9,11,13H,1,10,12H2,2-3H3,(H,18,20,21)/b19-13+