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

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-N-phenethyl-4-phenylazanyl-pyrimidine-5-carboxamide Openeye Name: 4-anilino-2-(3-imidazol-1-ylpropylamino)-N-phenethyl-pyrimidine-5-carboxamide CAS Name: 4-anilino-2-[3-(1-imidazolyl)propylamino]-N-phenethyl-5-pyrimidinecarboxamide IUPAC Name: 4-anilino-2-(3-imidazol-1-ylpropylamino)-N-phenethylpyrimidine-5-carboxamide Traditional Name: 4-anilino-2-(3-imidazol-1-ylpropylamino)-N-phenethyl-pyrimidine-5-carboxamide Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N7O/c33-24(27-14-12-20-8-3-1-4-9-20)22-18-29-25(28-13-7-16-32-17-15-26-19-32)31-23(22)30-21-10-5-2-6-11-21/h1-6,8-11,15,17-19H,7,12-14,16H2,(H,27,33)(H2,28,29,30,31)