5-[4-(1H-imidazol-5-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[4-(1H-imidazol-5-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-(1H-imidazol-5-ylmethylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 5-[4-(1H-imidazol-5-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-(1H-imidazol-5-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]-(1H-imidazol-5-ylmethyl)amine Formula: C22H23N7O MolecularWeight: 401.46432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CN=CN4

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CN=CN4

InChI

InChI=1S/C22H23N7O/c23-21-20(16-6-8-17(9-7-16)26-11-18-10-25-14-27-18)19(28-22(24)29-21)13-30-12-15-4-2-1-3-5-15/h1-10,14,26H,11-13H2,(H,25,27)(H4,23,24,28,29)