1-(2-aminophenyl)-2,2,3-trimethyl-butan-1-one; 5,6-dimethyl-1H-pyrimidine-2-thione

Systemtic Name: 1-(2-aminophenyl)-2,2,3-trimethyl-butan-1-one; 5,6-dimethyl-1H-pyrimidine-2-thione Openeye Name: 1-(2-aminophenyl)-2,2,3-trimethyl-butan-1-one; 5,6-dimethyl-1H-pyrimidine-2-thione CAS Name: 1-(2-aminophenyl)-2,2,3-trimethyl-1-butanone; 5,6-dimethyl-1H-pyrimidine-2-thione IUPAC Name: 1-(2-aminophenyl)-2,2,3-trimethylbutan-1-one; 5,6-dimethyl-1H-pyrimidine-2-thione Traditional Name: 1-(2-aminophenyl)-2,2,3-trimethyl-butan-1-one; 5,6-dimethyl-1H-pyrimidine-2-thione Formula: C19H27N3OS MolecularWeight: 345.50218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=S)N=C1)C.CC(C)C(C)(C)C(=O)C1=CC=CC=C1N

Isomeric SMILES

CC1=C(NC(=S)N=C1)C.CC(C)C(C)(C)C(=O)C1=CC=CC=C1N

InChI

InChI=1S/C13H19NO.C6H8N2S/c1-9(2)13(3,4)12(15)10-7-5-6-8-11(10)14;1-4-3-7-6(9)8-5(4)2/h5-9H,14H2,1-4H3;3H,1-2H3,(H,7,8,9)