6-azanyl-N-(3-methylphenyl)-2-morpholin-4-yl-4-oxidanylidene-1H-pyrimidine-5-carbothioamide

Systemtic Name: 6-azanyl-N-(3-methylphenyl)-2-morpholin-4-yl-4-oxidanylidene-1H-pyrimidine-5-carbothioamide Openeye Name: 6-amino-2-morpholino-N-(m-tolyl)-4-oxo-1H-pyrimidine-5-carbothioamide CAS Name: 6-amino-N-(3-methylphenyl)-2-(4-morpholinyl)-4-oxo-1H-pyrimidine-5-carbothioamide IUPAC Name: 6-amino-N-(3-methylphenyl)-2-morpholin-4-yl-4-oxo-1H-pyrimidine-5-carbothioamide Traditional Name: 6-amino-4-keto-2-morpholino-N-(m-tolyl)-1H-pyrimidine-5-carbothioamide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)C2=C(NC(=NC2=O)N3CCOCC3)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)C2=C(NC(=NC2=O)N3CCOCC3)N

InChI

InChI=1S/C16H19N5O2S/c1-10-3-2-4-11(9-10)18-15(24)12-13(17)19-16(20-14(12)22)21-5-7-23-8-6-21/h2-4,9H,5-8H2,1H3,(H,18,24)(H3,17,19,20,22)