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

Systemtic Name: N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[heptyl-(phenylmethyl)amino]butanamide Openeye Name: 4-[benzyl(heptyl)amino]-N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]butanamide CAS Name: N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]-4-[heptyl-(phenylmethyl)amino]butanamide IUPAC Name: 4-[benzyl(heptyl)amino]-N-[6-(diethylamino)-2-methyl-4-sulfanylidene-1H-pyrimidin-5-yl]butanamide Traditional Name: 4-[benzyl(heptyl)amino]-N-[6-(diethylamino)-2-methyl-4-thioxo-1H-pyrimidin-5-yl]butyramide Formula: C27H43N5OS MolecularWeight: 485.72822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCC(=O)NC1=C(NC(=NC1=S)C)N(CC)CC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCN(CCCC(=O)NC1=C(NC(=NC1=S)C)N(CC)CC)CC2=CC=CC=C2

InChI

InChI=1S/C27H43N5OS/c1-5-8-9-10-14-19-31(21-23-16-12-11-13-17-23)20-15-18-24(33)30-25-26(32(6-2)7-3)28-22(4)29-27(25)34/h11-13,16-17H,5-10,14-15,18-21H2,1-4H3,(H,30,33)(H,28,29,34)