ethyl 2-methyl-4-[1-[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]butan-2-ylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methyl-4-[1-[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]butan-2-ylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[1-[[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]propylamino]-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-[1-[4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]phenyl]butan-2-ylamino]-2-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]butan-2-ylamino]-2-methylpyrimidine-5-carboxylate Traditional Name: 4-[1-[4-[2-[(E)-aminocarbohydroximoyl]phenyl]benzyl]propylamino]-2-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=NO)N)NC3=NC(=NC=C3C(=O)OCC)C

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2/C(=N\O)/N)NC3=NC(=NC=C3C(=O)OCC)C

InChI

InChI=1S/C25H29N5O3/c1-4-19(29-24-22(25(31)33-5-2)15-27-16(3)28-24)14-17-10-12-18(13-11-17)20-8-6-7-9-21(20)23(26)30-32/h6-13,15,19,32H,4-5,14H2,1-3H3,(H2,26,30)(H,27,28,29)