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

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-4-phenylazanyl-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-anilino-N-benzyl-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-anilino-2-[3-(1-imidazolyl)propylamino]-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-anilino-N-benzyl-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: 4-anilino-N-benzyl-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide Formula: C24H25N7O MolecularWeight: 427.5016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2NC3=CC=CC=C3)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2NC3=CC=CC=C3)NCCCN4C=CN=C4

InChI

InChI=1S/C24H25N7O/c32-23(27-16-19-8-3-1-4-9-19)21-17-28-24(26-12-7-14-31-15-13-25-18-31)30-22(21)29-20-10-5-2-6-11-20/h1-6,8-11,13,15,17-18H,7,12,14,16H2,(H,27,32)(H2,26,28,29,30)