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

Systemtic Name: 2-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxidanylideneazepan-3-yl]pentanamide Openeye Name: 2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide CAS Name: 2-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-[(3S)-2-oxo-3-azepanyl]pentanamide IUPAC Name: 2-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide Traditional Name: 2-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-[(3S)-2-ketoazepan-3-yl]valeramide Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1CCCCNC1=O)SC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

Isomeric SMILES

CCCC(C(=O)N[C@H]1CCCCNC1=O)SC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

InChI

InChI=1S/C25H34N4O4S/c1-4-10-21(23(31)27-19-13-8-9-14-26-22(19)30)34-25-28-20(16-33-3)18(24(32)29(25)2)15-17-11-6-5-7-12-17/h5-7,11-12,19,21H,4,8-10,13-16H2,1-3H3,(H,26,30)(H,27,31)/t19-,21?/m0/s1