N-methyl-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-methyl-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Openeye Name: N-methyl-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide CAS Name: N-methyl-4-(2-pyrimidinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-methyl-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Traditional Name: N-methyl-4-(2-pyrimidyl)-1,4-diazepane-1-carbothioamide Formula: C11H17N5S MolecularWeight: 251.35118

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CNC(=S)N1CCCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C11H17N5S/c1-12-11(17)16-7-3-6-15(8-9-16)10-13-4-2-5-14-10/h2,4-5H,3,6-9H2,1H3,(H,12,17)