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

Systemtic Name: 4-(2-methylpropylamino)-N-phenethyl-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Openeye Name: 4-(isobutylamino)-N-phenethyl-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-(2-methylpropylamino)-N-phenethyl-2-[3-(1-pyrrolidinyl)propylamino]-5-pyrimidinecarboxamide IUPAC Name: 4-(2-methylpropylamino)-N-phenethyl-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: 4-(isobutylamino)-N-phenethyl-2-(3-pyrrolidinopropylamino)pyrimidine-5-carboxamide Formula: C24H36N6O MolecularWeight: 424.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC=CC=C2)NCCCN3CCCC3

Isomeric SMILES

CC(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC=CC=C2)NCCCN3CCCC3

InChI

InChI=1S/C24H36N6O/c1-19(2)17-27-22-21(23(31)25-13-11-20-9-4-3-5-10-20)18-28-24(29-22)26-12-8-16-30-14-6-7-15-30/h3-5,9-10,18-19H,6-8,11-17H2,1-2H3,(H,25,31)(H2,26,27,28,29)