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

Systemtic Name: 1-(2-aminophenyl)-2,2-dimethyl-butan-1-one; 5,6-dimethyl-1H-pyrimidine-2-thione Openeye Name: 1-(2-aminophenyl)-2,2-dimethyl-butan-1-one; 5,6-dimethyl-1H-pyrimidine-2-thione CAS Name: 1-(2-aminophenyl)-2,2-dimethyl-1-butanone; 5,6-dimethyl-1H-pyrimidine-2-thione IUPAC Name: 1-(2-aminophenyl)-2,2-dimethylbutan-1-one; 5,6-dimethyl-1H-pyrimidine-2-thione Traditional Name: 1-(2-aminophenyl)-2,2-dimethyl-butan-1-one; 5,6-dimethyl-1H-pyrimidine-2-thione Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO.C6H8N2S/c1-4-12(2,3)11(14)9-7-5-6-8-10(9)13;1-4-3-7-6(9)8-5(4)2/h5-8H,4,13H2,1-3H3;3H,1-2H3,(H,7,8,9)