2-[cyclohexyl(methyl)amino]-4-(1-phenoxypropan-2-ylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-[cyclohexyl(methyl)amino]-4-(1-phenoxypropan-2-ylamino)pyrimidine-5-carboxylic acid Openeye Name: 2-[cyclohexyl(methyl)amino]-4-[(1-methyl-2-phenoxy-ethyl)amino]pyrimidine-5-carboxylic acid CAS Name: 2-[cyclohexyl(methyl)amino]-4-(1-phenoxypropan-2-ylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[cyclohexyl(methyl)amino]-4-(1-phenoxypropan-2-ylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-[cyclohexyl(methyl)amino]-4-[(1-methyl-2-phenoxy-ethyl)amino]pyrimidine-5-carboxylic acid Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)NC2=NC(=NC=C2C(=O)O)N(C)C3CCCCC3

Isomeric SMILES

CC(COC1=CC=CC=C1)NC2=NC(=NC=C2C(=O)O)N(C)C3CCCCC3

InChI

InChI=1S/C21H28N4O3/c1-15(14-28-17-11-7-4-8-12-17)23-19-18(20(26)27)13-22-21(24-19)25(2)16-9-5-3-6-10-16/h4,7-8,11-13,15-16H,3,5-6,9-10,14H2,1-2H3,(H,26,27)(H,22,23,24)