2-cyano-4-(cyclohexylamino)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyrimidine-5-carboxamide

Systemtic Name: 2-cyano-4-(cyclohexylamino)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyrimidine-5-carboxamide Openeye Name: 2-cyano-4-(cyclohexylamino)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyrimidine-5-carboxamide CAS Name: 2-cyano-4-(cyclohexylamino)-N-[2-[4-(1-pyrrolidinyl)phenyl]ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-cyano-4-(cyclohexylamino)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyrimidine-5-carboxamide Traditional Name: 2-cyano-4-(cyclohexylamino)-N-[2-(4-pyrrolidinophenyl)ethyl]pyrimidine-5-carboxamide Formula: C24H30N6O MolecularWeight: 418.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC=C2C(=O)NCCC3=CC=C(C=C3)N4CCCC4)C#N

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC=C2C(=O)NCCC3=CC=C(C=C3)N4CCCC4)C#N

InChI

InChI=1S/C24H30N6O/c25-16-22-27-17-21(23(29-22)28-19-6-2-1-3-7-19)24(31)26-13-12-18-8-10-20(11-9-18)30-14-4-5-15-30/h8-11,17,19H,1-7,12-15H2,(H,26,31)(H,27,28,29)