6-(phenylmethoxymethyl)-5-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(phenylmethoxymethyl)-5-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 6-(phenylmethoxymethyl)-5-[4-(5-pyrimidinylmethylamino)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(phenylmethoxymethyl)-5-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]-(5-pyrimidylmethyl)amine Formula: C23H23N7O MolecularWeight: 413.47502

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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=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CN=CN=C4

InChI

InChI=1S/C23H23N7O/c24-22-21(18-6-8-19(9-7-18)28-12-17-10-26-15-27-11-17)20(29-23(25)30-22)14-31-13-16-4-2-1-3-5-16/h1-11,15,28H,12-14H2,(H4,24,25,29,30)