5-nitroso-2-(phenylmethylsulfanyl)-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: 5-nitroso-2-(phenylmethylsulfanyl)-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-5-nitroso-6-(1-piperidyl)pyrimidin-4-amine CAS Name: 5-nitroso-2-(phenylmethylthio)-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: 2-benzylsulfanyl-5-nitroso-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: [2-(benzylthio)-5-nitroso-6-piperidino-pyrimidin-4-yl]amine Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)N)N=O

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)N)N=O

InChI

InChI=1S/C16H19N5OS/c17-14-13(20-22)15(21-9-5-2-6-10-21)19-16(18-14)23-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H2,17,18,19)