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

Systemtic Name: 2-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide Openeye Name: 2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]acetamide CAS Name: 2-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-[(3S)-2-oxo-3-azepanyl]acetamide IUPAC Name: 2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]acetamide Traditional Name: 2-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-[(3S)-2-ketoazepan-3-yl]acetamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SCC(=O)NC2CCCCNC2=O)COC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(N=C1SCC(=O)N[C@H]2CCCCNC2=O)COC)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-26-21(29)16(12-15-8-4-3-5-9-15)18(13-30-2)25-22(26)31-14-19(27)24-17-10-6-7-11-23-20(17)28/h3-5,8-9,17H,6-7,10-14H2,1-2H3,(H,23,28)(H,24,27)/t17-/m0/s1