4-(cyclohexylmethylamino)-N-phenethyl-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide

Systemtic Name: 4-(cyclohexylmethylamino)-N-phenethyl-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Openeye Name: 4-(cyclohexylmethylamino)-N-phenethyl-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-(cyclohexylmethylamino)-N-phenethyl-2-[3-(1-pyrrolidinyl)propylamino]-5-pyrimidinecarboxamide IUPAC Name: 4-(cyclohexylmethylamino)-N-phenethyl-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: 4-(cyclohexylmethylamino)-N-phenethyl-2-(3-pyrrolidinopropylamino)pyrimidine-5-carboxamide Formula: C27H40N6O MolecularWeight: 464.6461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCCC3=CC=CC=C3)NCCCN4CCCC4

Isomeric SMILES

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCCC3=CC=CC=C3)NCCCN4CCCC4

InChI

InChI=1S/C27H40N6O/c34-26(28-16-14-22-10-3-1-4-11-22)24-21-31-27(29-15-9-19-33-17-7-8-18-33)32-25(24)30-20-23-12-5-2-6-13-23/h1,3-4,10-11,21,23H,2,5-9,12-20H2,(H,28,34)(H2,29,30,31,32)