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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(methoxymethyl)-1-methyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(methoxymethyl)-1-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-benzyl-4-(methoxymethyl)-1-methyl-6-oxopyrimidin-2-yl]sulfanylbutanamide Traditional Name: 4-[[5-benzyl-6-keto-4-(methoxymethyl)-1-methyl-pyrimidin-2-yl]thio]-N-piperonyl-butyramide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SCCCC(=O)NCC2=CC3=C(C=C2)OCO3)COC)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(=C(N=C1SCCCC(=O)NCC2=CC3=C(C=C2)OCO3)COC)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5S/c1-29-25(31)20(13-18-7-4-3-5-8-18)21(16-32-2)28-26(29)35-12-6-9-24(30)27-15-19-10-11-22-23(14-19)34-17-33-22/h3-5,7-8,10-11,14H,6,9,12-13,15-17H2,1-2H3,(H,27,30)