2-[cyanomethyl-[[6-cyclohexylsulfanyl-5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methoxymethyl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[[6-cyclohexylsulfanyl-5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methoxymethyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[(6-cyclohexylsulfanyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxymethyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[6-(cyclohexylthio)-5-methyl-2,4-dioxo-1-pyrimidinyl]methoxymethyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[(6-cyclohexylsulfanyl-5-methyl-2,4-dioxopyrimidin-1-yl)methoxymethyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[6-(cyclohexylthio)-2,4-diketo-5-methyl-pyrimidin-1-yl]methoxymethyl]amino]acetonitrile Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)NC1=O)COCN(CC#N)CC#N)SC2CCCCC2

Isomeric SMILES

CC1=C(N(C(=O)NC1=O)COCN(CC#N)CC#N)SC2CCCCC2

InChI

InChI=1S/C17H23N5O3S/c1-13-15(23)20-17(24)22(12-25-11-21(9-7-18)10-8-19)16(13)26-14-5-3-2-4-6-14/h14H,2-6,9-12H2,1H3,(H,20,23,24)