2-(phenylmethylsulfanyl)-6-pyrrolidin-1-yl-pyrimidin-4-amine

Systemtic Name: 2-(phenylmethylsulfanyl)-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: 2-(phenylmethylthio)-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: 2-benzylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: [2-(benzylthio)-6-pyrrolidino-pyrimidin-4-yl]amine Formula: C15H18N4S MolecularWeight: 286.39522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC=C3)N

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC=C3)N

InChI

InChI=1S/C15H18N4S/c16-13-10-14(19-8-4-5-9-19)18-15(17-13)20-11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H2,16,17,18)