4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-propyl-butanamide

Systemtic Name: 4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-propyl-butanamide Openeye Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-propyl-butanamide CAS Name: 4-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-propylbutanamide IUPAC Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-propylbutanamide Traditional Name: 4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-propyl-butyramide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)COC

Isomeric SMILES

CCCNC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC=C2)COC

InChI

InChI=1S/C21H29N3O3S/c1-4-12-22-19(25)11-8-13-28-21-23-18(15-27-3)17(20(26)24(21)2)14-16-9-6-5-7-10-16/h5-7,9-10H,4,8,11-15H2,1-3H3,(H,22,25)