N-[6-(diethylamino)-2-methoxy-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[phenyl(propyl)amino]butanamide

Systemtic Name: N-[6-(diethylamino)-2-methoxy-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[phenyl(propyl)amino]butanamide Openeye Name: N-[6-(diethylamino)-2-methoxy-4-thioxo-1H-pyrimidin-5-yl]-4-(N-propylanilino)butanamide CAS Name: N-[6-(diethylamino)-2-methoxy-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-propylanilino)butanamide IUPAC Name: N-[6-(diethylamino)-2-methoxy-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-propylanilino)butanamide Traditional Name: N-[6-(diethylamino)-2-methoxy-4-thioxo-1H-pyrimidin-5-yl]-4-(N-propylanilino)butyramide Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(=O)NC1=C(NC(=NC1=S)OC)N(CC)CC)C2=CC=CC=C2

Isomeric SMILES

CCCN(CCCC(=O)NC1=C(NC(=NC1=S)OC)N(CC)CC)C2=CC=CC=C2

InChI

InChI=1S/C22H33N5O2S/c1-5-15-27(17-12-9-8-10-13-17)16-11-14-18(28)23-19-20(26(6-2)7-3)24-22(29-4)25-21(19)30/h8-10,12-13H,5-7,11,14-16H2,1-4H3,(H,23,28)(H,24,25,30)