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

Systemtic Name: N-cyclopropyl-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Openeye Name: N-cyclopropyl-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide CAS Name: N-cyclopropyl-4-(2-pyrimidinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-cyclopropyl-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Traditional Name: N-cyclopropyl-4-(2-pyrimidyl)-1,4-diazepane-1-carbothioamide Formula: C13H19N5S MolecularWeight: 277.38846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2CC2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2CC2)C3=NC=CC=N3

InChI

InChI=1S/C13H19N5S/c19-13(16-11-3-4-11)18-8-2-7-17(9-10-18)12-14-5-1-6-15-12/h1,5-6,11H,2-4,7-10H2,(H,16,19)