N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-methyl-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)N

InChI

InChI=1S/C26H29N5O3S/c1-17-7-9-20(10-8-17)24(33)28-22-23(27)29-26(30-25(22)34)35-16-21(32)31-13-11-19(12-14-31)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,28,33)(H3,27,29,30,34)