2-(butoxycarbonylamino)-3-phenyl-propanoic acid; 4,6-dimethyl-1H-pyrimidine-2-thione

Systemtic Name: 2-(butoxycarbonylamino)-3-phenyl-propanoic acid; 4,6-dimethyl-1H-pyrimidine-2-thione Openeye Name: 2-(butoxycarbonylamino)-3-phenyl-propanoic acid; 4,6-dimethyl-1H-pyrimidine-2-thione CAS Name: 2-[[butoxy(oxo)methyl]amino]-3-phenylpropanoic acid; 4,6-dimethyl-1H-pyrimidine-2-thione IUPAC Name: 2-(butoxycarbonylamino)-3-phenylpropanoic acid; 4,6-dimethyl-1H-pyrimidine-2-thione Traditional Name: 2-(butoxycarbonylamino)-3-phenyl-propionic acid; 4,6-dimethyl-1H-pyrimidine-2-thione Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC1=CC=CC=C1)C(=O)O.CC1=CC(=NC(=S)N1)C

Isomeric SMILES

CCCCOC(=O)NC(CC1=CC=CC=C1)C(=O)O.CC1=CC(=NC(=S)N1)C

InChI

InChI=1S/C14H19NO4.C6H8N2S/c1-2-3-9-19-14(18)15-12(13(16)17)10-11-7-5-4-6-8-11;1-4-3-5(2)8-6(9)7-4/h4-8,12H,2-3,9-10H2,1H3,(H,15,18)(H,16,17);3H,1-2H3,(H,7,8,9)