6-azanyl-N-(4-ethylphenyl)-4-oxidanylidene-2-pyrrolidin-1-yl-1H-pyrimidine-5-carbothioamide

Systemtic Name: 6-azanyl-N-(4-ethylphenyl)-4-oxidanylidene-2-pyrrolidin-1-yl-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-N-(4-ethylphenyl)-4-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-N-(4-ethylphenyl)-4-oxo-2-(1-pyrrolidinyl)-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-N-(4-ethylphenyl)-4-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-N-(4-ethylphenyl)-4-keto-2-pyrrolidino-1H-pyrimidine-5-carbothioamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)C2=C(NC(=NC2=O)N3CCCC3)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)C2=C(NC(=NC2=O)N3CCCC3)N

InChI

InChI=1S/C17H21N5OS/c1-2-11-5-7-12(8-6-11)19-16(24)13-14(18)20-17(21-15(13)23)22-9-3-4-10-22/h5-8H,2-4,9-10H2,1H3,(H,19,24)(H3,18,20,21,23)