(4R)-4-(5-bromanyl-2-methoxy-phenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4R)-4-(5-bromanyl-2-methoxy-phenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4R)-4-(5-bromo-2-methoxy-phenyl)-N,N-diethyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4R)-4-(5-bromo-2-methoxyphenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4R)-4-(5-bromo-2-methoxyphenyl)-N,N-diethyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4R)-4-(5-bromo-2-methoxy-phenyl)-N,N-diethyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C17H22BrN3O2S MolecularWeight: 412.34448

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)Br)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(NC(=S)N[C@@H]1C2=C(C=CC(=C2)Br)OC)C

InChI

InChI=1S/C17H22BrN3O2S/c1-5-21(6-2)16(22)14-10(3)19-17(24)20-15(14)12-9-11(18)7-8-13(12)23-4/h7-9,15H,5-6H2,1-4H3,(H2,19,20,24)/t15-/m1/s1