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

Systemtic Name: N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[phenyl(propyl)amino]butanamide Openeye Name: N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(N-propylanilino)butanamide CAS Name: N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-propylanilino)butanamide IUPAC Name: N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-(N-propylanilino)butanamide Traditional Name: N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-4-(N-propylanilino)butyramide Formula: C22H33N5OS MolecularWeight: 415.59532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5OS/c1-5-15-27(18-12-9-8-10-13-18)16-11-14-19(28)25-20-21(26(6-2)7-3)23-17(4)24-22(20)29/h8-10,12-13H,5-7,11,14-16H2,1-4H3,(H,25,28)(H,23,24,29)