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

Systemtic Name: 4-(cyclohexylmethylamino)-N-(phenylmethyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(cyclohexylmethylamino)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-(cyclohexylmethylamino)-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)propylamino]-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-(cyclohexylmethylamino)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(cyclohexylmethylamino)-2-(3-pyrrolidinopropylamino)pyrimidine-5-carboxamide Formula: C26H38N6O MolecularWeight: 450.61952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4CCCC4

Isomeric SMILES

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4CCCC4

InChI

InChI=1S/C26H38N6O/c33-25(29-19-22-12-5-2-6-13-22)23-20-30-26(27-14-9-17-32-15-7-8-16-32)31-24(23)28-18-21-10-3-1-4-11-21/h2,5-6,12-13,20-21H,1,3-4,7-11,14-19H2,(H,29,33)(H2,27,28,30,31)