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

Systemtic Name: 4-[decyl(phenyl)amino]-N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]butanamide Openeye Name: 4-(N-decylanilino)-N-[4-(diethylamino)-2-methyl-6-methylsulfanyl-pyrimidin-5-yl]butanamide CAS Name: 4-(N-decylanilino)-N-[4-(diethylamino)-2-methyl-6-(methylthio)-5-pyrimidinyl]butanamide IUPAC Name: 4-(N-decylanilino)-N-[4-(diethylamino)-2-methyl-6-methylsulfanylpyrimidin-5-yl]butanamide Traditional Name: 4-(N-decylanilino)-N-[4-(diethylamino)-2-methyl-6-(methylthio)pyrimidin-5-yl]butyramide Formula: C30H49N5OS MolecularWeight: 527.80796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(CCCC(=O)NC1=C(N=C(N=C1SC)C)N(CC)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCN(CCCC(=O)NC1=C(N=C(N=C1SC)C)N(CC)CC)C2=CC=CC=C2

InChI

InChI=1S/C30H49N5OS/c1-6-9-10-11-12-13-14-18-23-35(26-20-16-15-17-21-26)24-19-22-27(36)33-28-29(34(7-2)8-3)31-25(4)32-30(28)37-5/h15-17,20-21H,6-14,18-19,22-24H2,1-5H3,(H,33,36)