ethyl 4-[2-(cyclohexylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-(cyclohexylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(cyclohexylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-(cyclohexylamino)-4-pyrimidinyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(cyclohexylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(cyclohexylamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3CCCCC3)C

InChI

InChI=1S/C19H26N4O2/c1-4-25-18(24)17-12(2)16(13(3)21-17)15-10-11-20-19(23-15)22-14-8-6-5-7-9-14/h10-11,14,21H,4-9H2,1-3H3,(H,20,22,23)