4-[(2-aminophenyl)amino]-2-oxidanylidene-1-(thiophen-2-ylmethyl)-1,3-diazinane-5-carbonitrile

Systemtic Name: 4-[(2-aminophenyl)amino]-2-oxidanylidene-1-(thiophen-2-ylmethyl)-1,3-diazinane-5-carbonitrile Openeye Name: 4-(2-aminoanilino)-2-oxo-1-(2-thienylmethyl)hexahydropyrimidine-5-carbonitrile CAS Name: 4-(2-aminoanilino)-2-oxo-1-(thiophen-2-ylmethyl)-1,3-diazinane-5-carbonitrile IUPAC Name: 4-(2-aminoanilino)-2-oxo-1-(thiophen-2-ylmethyl)-1,3-diazinane-5-carbonitrile Traditional Name: 4-(2-aminoanilino)-2-keto-1-(2-thenyl)hexahydropyrimidine-5-carbonitrile Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(NC(=O)N1CC2=CC=CS2)NC3=CC=CC=C3N)C#N

Isomeric SMILES

C1C(C(NC(=O)N1CC2=CC=CS2)NC3=CC=CC=C3N)C#N

InChI

InChI=1S/C16H17N5OS/c17-8-11-9-21(10-12-4-3-7-23-12)16(22)20-15(11)19-14-6-2-1-5-13(14)18/h1-7,11,15,19H,9-10,18H2,(H,20,22)