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

Systemtic Name: 4-[hexyl(phenyl)amino]-N-[2-methyl-6-(4-methylpiperazin-1-yl)-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide Openeye Name: 4-(N-hexylanilino)-N-[2-methyl-6-(4-methylpiperazin-1-yl)-4-thioxo-1H-pyrimidin-5-yl]butanamide CAS Name: 4-(N-hexylanilino)-N-[2-methyl-6-(4-methyl-1-piperazinyl)-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide IUPAC Name: 4-(N-hexylanilino)-N-[2-methyl-6-(4-methylpiperazin-1-yl)-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide Traditional Name: 4-(N-hexylanilino)-N-[2-methyl-6-(4-methylpiperazino)-4-thioxo-1H-pyrimidin-5-yl]butyramide Formula: C26H40N6OS MolecularWeight: 484.7004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCC(=O)NC1=C(NC(=NC1=S)C)N2CCN(CC2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCN(CCCC(=O)NC1=C(NC(=NC1=S)C)N2CCN(CC2)C)C3=CC=CC=C3

InChI

InChI=1S/C26H40N6OS/c1-4-5-6-10-15-31(22-12-8-7-9-13-22)16-11-14-23(33)29-24-25(27-21(2)28-26(24)34)32-19-17-30(3)18-20-32/h7-9,12-13H,4-6,10-11,14-20H2,1-3H3,(H,29,33)(H,27,28,34)