3-(cyclopropylmethyl)-2-[(3,5-ditert-butylphenyl)amino]-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(cyclopropylmethyl)-2-[(3,5-ditert-butylphenyl)amino]-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-(cyclopropylmethyl)-2-(3,5-ditert-butylanilino)-4H-pyrimidine-5-carboxylic acid CAS Name: 3-(cyclopropylmethyl)-2-(3,5-ditert-butylanilino)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(cyclopropylmethyl)-2-(3,5-ditert-butylanilino)-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-(cyclopropylmethyl)-2-(3,5-ditert-butylanilino)-4H-pyrimidine-5-carboxylic acid Formula: C23H33N3O2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)NC2=NC=C(CN2CC3CC3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)NC2=NC=C(CN2CC3CC3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C23H33N3O2/c1-22(2,3)17-9-18(23(4,5)6)11-19(10-17)25-21-24-12-16(20(27)28)14-26(21)13-15-7-8-15/h9-12,15H,7-8,13-14H2,1-6H3,(H,24,25)(H,27,28)