4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxidanylideneazepan-3-yl]butanamide

Systemtic Name: 4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxidanylideneazepan-3-yl]butanamide Openeye Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]butanamide CAS Name: 4-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-[(3S)-2-oxo-3-azepanyl]butanamide IUPAC Name: 4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]butanamide Traditional Name: 4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-[(3S)-2-ketoazepan-3-yl]butyramide Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SCCCC(=O)NC2CCCCNC2=O)COC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(N=C1SCCCC(=O)N[C@H]2CCCCNC2=O)COC)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O4S/c1-28-23(31)18(15-17-9-4-3-5-10-17)20(16-32-2)27-24(28)33-14-8-12-21(29)26-19-11-6-7-13-25-22(19)30/h3-5,9-10,19H,6-8,11-16H2,1-2H3,(H,25,30)(H,26,29)/t19-/m0/s1