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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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