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

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-4-(phenethylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-(3-imidazol-1-ylpropylamino)-4-(phenethylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(1-imidazolyl)propylamino]-4-(phenethylamino)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-(3-imidazol-1-ylpropylamino)-4-(phenethylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-2-(3-imidazol-1-ylpropylamino)-4-(phenethylamino)pyrimidine-5-carboxamide Formula: C26H29N7O MolecularWeight: 455.55476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4C=CN=C4

InChI

InChI=1S/C26H29N7O/c34-25(30-18-22-10-5-2-6-11-22)23-19-31-26(29-13-7-16-33-17-15-27-20-33)32-24(23)28-14-12-21-8-3-1-4-9-21/h1-6,8-11,15,17,19-20H,7,12-14,16,18H2,(H,30,34)(H2,28,29,31,32)