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

Systemtic Name: N-[6-(dimethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-5-[phenyl(propyl)amino]pentanamide Openeye Name: N-[6-(dimethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-5-(N-propylanilino)pentanamide CAS Name: N-[6-(dimethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-5-(N-propylanilino)pentanamide IUPAC Name: N-[6-(dimethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-5-(N-propylanilino)pentanamide Traditional Name: N-[6-(dimethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]-5-(N-propylanilino)valeramide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5OS/c1-5-14-26(17-11-7-6-8-12-17)15-10-9-13-18(27)24-19-20(25(3)4)22-16(2)23-21(19)28/h6-8,11-12H,5,9-10,13-15H2,1-4H3,(H,24,27)(H,22,23,28)