N-[4-[2,4-bis(azanyl)-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylmethoxy-ethanamide

Systemtic Name: N-[4-[2,4-bis(azanyl)-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylmethoxy-ethanamide Openeye Name: 2-benzyloxy-N-[4-[2,4-diamino-6-(benzyloxymethyl)pyrimidin-5-yl]phenyl]acetamide CAS Name: N-[4-[2,4-diamino-6-(phenylmethoxymethyl)-5-pyrimidinyl]phenyl]-2-phenylmethoxyacetamide IUPAC Name: N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylmethoxyacetamide Traditional Name: 2-benzoxy-N-[4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]acetamide Formula: C27H27N5O3 MolecularWeight: 469.53498

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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)NC(=O)COCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NC(=O)COCC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O3/c28-26-25(23(31-27(29)32-26)17-34-15-19-7-3-1-4-8-19)21-11-13-22(14-12-21)30-24(33)18-35-16-20-9-5-2-6-10-20/h1-14H,15-18H2,(H,30,33)(H4,28,29,31,32)