N-[4-azanyl-2-(phenylmethylsulfanyl)-6-pyrrolidin-1-yl-pyrimidin-5-yl]methanamide

Systemtic Name: N-[4-azanyl-2-(phenylmethylsulfanyl)-6-pyrrolidin-1-yl-pyrimidin-5-yl]methanamide Openeye Name: N-(4-amino-2-benzylsulfanyl-6-pyrrolidin-1-yl-pyrimidin-5-yl)formamide CAS Name: N-[4-amino-2-(phenylmethylthio)-6-(1-pyrrolidinyl)-5-pyrimidinyl]formamide IUPAC Name: N-(4-amino-2-benzylsulfanyl-6-pyrrolidin-1-ylpyrimidin-5-yl)formamide Traditional Name: N-[4-amino-2-(benzylthio)-6-pyrrolidino-pyrimidin-5-yl]formamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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