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

Systemtic Name: ethyl 3-(cyclopropylmethyl)-2-[(3,5-ditert-butylphenyl)amino]-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 3-(cyclopropylmethyl)-2-(3,5-ditert-butylanilino)-4H-pyrimidine-5-carboxylate CAS Name: 3-(cyclopropylmethyl)-2-(3,5-ditert-butylanilino)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyclopropylmethyl)-2-(3,5-ditert-butylanilino)-4H-pyrimidine-5-carboxylate Traditional Name: 3-(cyclopropylmethyl)-2-(3,5-ditert-butylanilino)-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H37N3O2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1)CC2CC2)NC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1)CC2CC2)NC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H37N3O2/c1-8-30-22(29)18-14-26-23(28(16-18)15-17-9-10-17)27-21-12-19(24(2,3)4)11-20(13-21)25(5,6)7/h11-14,17H,8-10,15-16H2,1-7H3,(H,26,27)