6-(phenylmethoxymethyl)-5-[4-(pyridin-3-ylmethylamino)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(phenylmethoxymethyl)-5-[4-(pyridin-3-ylmethylamino)phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-(3-pyridylmethylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 6-(phenylmethoxymethyl)-5-[4-(3-pyridinylmethylamino)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(phenylmethoxymethyl)-5-[4-(pyridin-3-ylmethylamino)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]-(3-pyridylmethyl)amine Formula: C24H24N6O MolecularWeight: 412.48696

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H24N6O/c25-23-22(19-8-10-20(11-9-19)28-14-18-7-4-12-27-13-18)21(29-24(26)30-23)16-31-15-17-5-2-1-3-6-17/h1-13,28H,14-16H2,(H4,25,26,29,30)