N-(cyclohexylideneamino)-2-(phenylmethylsulfanyl)pyrimidin-4-amine

Systemtic Name: N-(cyclohexylideneamino)-2-(phenylmethylsulfanyl)pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-N-(cyclohexylideneamino)pyrimidin-4-amine CAS Name: N-(cyclohexylideneamino)-2-(phenylmethylthio)-4-pyrimidinamine IUPAC Name: 2-benzylsulfanyl-N-(cyclohexylideneamino)pyrimidin-4-amine Traditional Name: [2-(benzylthio)pyrimidin-4-yl]-(cyclohexylideneamino)amine Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC2=NC(=NC=C2)SCC3=CC=CC=C3)CC1

Isomeric SMILES

C1CCC(=NNC2=NC(=NC=C2)SCC3=CC=CC=C3)CC1

InChI

InChI=1S/C17H20N4S/c1-3-7-14(8-4-1)13-22-17-18-12-11-16(19-17)21-20-15-9-5-2-6-10-15/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2,(H,18,19,21)