2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

Systemtic Name: 2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide Openeye Name: 2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide CAS Name: 2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide Traditional Name: 2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC(=O)C2=CN=C(N=C2NC3CCCCC3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CCNC(=O)C2=CN=C(N=C2NC3CCCCC3)C#N

InChI

InChI=1S/C21H25N5O2/c1-28-17-9-5-6-15(12-17)10-11-23-21(27)18-14-24-19(13-22)26-20(18)25-16-7-3-2-4-8-16/h5-6,9,12,14,16H,2-4,7-8,10-11H2,1H3,(H,23,27)(H,24,25,26)