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

Systemtic Name: N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]-4-[heptyl-(phenylmethyl)amino]butanamide Openeye Name: 4-[benzyl(heptyl)amino]-N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]butanamide CAS Name: N-[4-(diethylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]-4-[heptyl-(phenylmethyl)amino]butanamide IUPAC Name: 4-[benzyl(heptyl)amino]-N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]butanamide Traditional Name: 4-[benzyl(heptyl)amino]-N-[4-(diethylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]butyramide Formula: C28H45N5OS MolecularWeight: 499.7548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCC(=O)NC1=C(N=C(N=C1SC)C)N(CC)CC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCN(CCCC(=O)NC1=C(N=C(N=C1SC)C)N(CC)CC)CC2=CC=CC=C2

InChI

InChI=1S/C28H45N5OS/c1-6-9-10-11-15-20-32(22-24-17-13-12-14-18-24)21-16-19-25(34)31-26-27(33(7-2)8-3)29-23(4)30-28(26)35-5/h12-14,17-18H,6-11,15-16,19-22H2,1-5H3,(H,31,34)