2-[5-[[3-(4-methoxybutyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]amino]-2-methyl-phenyl]ethanenitrile

Systemtic Name: 2-[5-[[3-(4-methoxybutyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]amino]-2-methyl-phenyl]ethanenitrile Openeye Name: 2-[5-[[3-(4-methoxybutyl)-2,4-dioxo-1H-pyrimidin-6-yl]amino]-2-methyl-phenyl]acetonitrile CAS Name: 2-[5-[[3-(4-methoxybutyl)-2,4-dioxo-1H-pyrimidin-6-yl]amino]-2-methylphenyl]acetonitrile IUPAC Name: 2-[5-[[3-(4-methoxybutyl)-2,4-dioxo-1H-pyrimidin-6-yl]amino]-2-methylphenyl]acetonitrile Traditional Name: 2-[5-[[2,4-diketo-3-(4-methoxybutyl)-1H-pyrimidin-6-yl]amino]-2-methyl-phenyl]acetonitrile Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=O)N(C(=O)N2)CCCCOC)CC#N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=O)N(C(=O)N2)CCCCOC)CC#N

InChI

InChI=1S/C18H22N4O3/c1-13-5-6-15(11-14(13)7-8-19)20-16-12-17(23)22(18(24)21-16)9-3-4-10-25-2/h5-6,11-12,20H,3-4,7,9-10H2,1-2H3,(H,21,24)