2-[1-[3-azanylpropyl-(4-methylphenyl)carbonyl-amino]-2-methyl-propyl]-4-methyl-6-oxidanylidene-1-(phenylmethyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-[1-[3-azanylpropyl-(4-methylphenyl)carbonyl-amino]-2-methyl-propyl]-4-methyl-6-oxidanylidene-1-(phenylmethyl)pyrimidine-5-carboxylic acid Openeye Name: 2-[1-[3-aminopropyl-(4-methylbenzoyl)amino]-2-methyl-propyl]-1-benzyl-4-methyl-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 2-[1-[3-aminopropyl-[(4-methylphenyl)-oxomethyl]amino]-2-methylpropyl]-4-methyl-6-oxo-1-(phenylmethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[1-[3-aminopropyl-(4-methylbenzoyl)amino]-2-methylpropyl]-1-benzyl-4-methyl-6-oxopyrimidine-5-carboxylic acid Traditional Name: 2-[1-[3-aminopropyl(p-toluoyl)amino]-2-methyl-propyl]-1-benzyl-6-keto-4-methyl-pyrimidine-5-carboxylic acid Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC(=C(C(=O)N2CC3=CC=CC=C3)C(=O)O)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC(=C(C(=O)N2CC3=CC=CC=C3)C(=O)O)C)C(C)C

InChI

InChI=1S/C28H34N4O4/c1-18(2)24(31(16-8-15-29)26(33)22-13-11-19(3)12-14-22)25-30-20(4)23(28(35)36)27(34)32(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3,(H,35,36)