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

Systemtic Name: ethyl 4-[2-(cyclohexylamino)-5-(hydroxymethyl)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(cyclohexylamino)-5-(hydroxymethyl)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-(cyclohexylamino)-5-(hydroxymethyl)-4-pyrimidinyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(cyclohexylamino)-5-(hydroxymethyl)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(cyclohexylamino)-5-methylol-pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2CO)NC3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2CO)NC3CCCCC3)C

InChI

InChI=1S/C20H28N4O3/c1-4-27-19(26)17-12(2)16(13(3)22-17)18-14(11-25)10-21-20(24-18)23-15-8-6-5-7-9-15/h10,15,22,25H,4-9,11H2,1-3H3,(H,21,23,24)