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

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-4-(2-methylpropylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-(3-imidazol-1-ylpropylamino)-4-(isobutylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(1-imidazolyl)propylamino]-4-(2-methylpropylamino)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-(3-imidazol-1-ylpropylamino)-4-(2-methylpropylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-2-(3-imidazol-1-ylpropylamino)-4-(isobutylamino)pyrimidine-5-carboxamide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)NCCCN3C=CN=C3

Isomeric SMILES

CC(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)NCCCN3C=CN=C3

InChI

InChI=1S/C22H29N7O/c1-17(2)13-25-20-19(21(30)26-14-18-7-4-3-5-8-18)15-27-22(28-20)24-9-6-11-29-12-10-23-16-29/h3-5,7-8,10,12,15-17H,6,9,11,13-14H2,1-2H3,(H,26,30)(H2,24,25,27,28)