ethyl 1-[4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylbutanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylbutanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanylbutanoyl]piperidine-3-carboxylate CAS Name: 1-[4-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-1-oxobutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanylbutanoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]butanoyl]nipecotic acid ethyl ester Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCCSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCCSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)COC

InChI

InChI=1S/C26H35N3O5S/c1-4-34-25(32)20-12-8-14-29(17-20)23(30)13-9-15-35-26-27-22(18-33-3)21(24(31)28(26)2)16-19-10-6-5-7-11-19/h5-7,10-11,20H,4,8-9,12-18H2,1-3H3