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

Systemtic Name: 5-[6-[(3-ethyl-4-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]pentanenitrile Openeye Name: 5-[6-(3-ethyl-4-methyl-anilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanenitrile CAS Name: 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanenitrile IUPAC Name: 5-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]pentanenitrile Traditional Name: 5-[6-(3-ethyl-4-methyl-anilino)-2,4-diketo-1H-pyrimidin-3-yl]valeronitrile Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCC#N)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCC#N)C

InChI

InChI=1S/C18H22N4O2/c1-3-14-11-15(8-7-13(14)2)20-16-12-17(23)22(18(24)21-16)10-6-4-5-9-19/h7-8,11-12,20H,3-6,10H2,1-2H3,(H,21,24)