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

Systemtic Name: ethyl 6-[6-[(3-ethyl-4-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]hexanoate Openeye Name: ethyl 6-[6-(3-ethyl-4-methyl-anilino)-2,4-dioxo-1H-pyrimidin-3-yl]hexanoate CAS Name: 6-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]hexanoate Traditional Name: 6-[6-(3-ethyl-4-methyl-anilino)-2,4-diketo-1H-pyrimidin-3-yl]hexanoic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCCC(=O)OCC)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCCC(=O)OCC)C

InChI

InChI=1S/C21H29N3O4/c1-4-16-13-17(11-10-15(16)3)22-18-14-19(25)24(21(27)23-18)12-8-6-7-9-20(26)28-5-2/h10-11,13-14,22H,4-9,12H2,1-3H3,(H,23,27)