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

Systemtic Name: 4-(2-methylpropylamino)-N-(phenylmethyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(isobutylamino)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-(2-methylpropylamino)-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)propylamino]-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-(2-methylpropylamino)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(isobutylamino)-2-(3-pyrrolidinopropylamino)pyrimidine-5-carboxamide Formula: C23H34N6O MolecularWeight: 410.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)NCCCN3CCCC3

Isomeric SMILES

CC(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)NCCCN3CCCC3

InChI

InChI=1S/C23H34N6O/c1-18(2)15-25-21-20(22(30)26-16-19-9-4-3-5-10-19)17-27-23(28-21)24-11-8-14-29-12-6-7-13-29/h3-5,9-10,17-18H,6-8,11-16H2,1-2H3,(H,26,30)(H2,24,25,27,28)