4-[2,4-bis(azanyl)-6-(phenylmethoxymethyl)pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2,4-bis(azanyl)-6-(phenylmethoxymethyl)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2,4-diamino-6-(benzyloxymethyl)pyrimidin-5-yl]benzonitrile CAS Name: 4-[2,4-diamino-6-(phenylmethoxymethyl)-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]benzonitrile Formula: C19H17N5O MolecularWeight: 331.37118

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)C#N

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17N5O/c20-10-13-6-8-15(9-7-13)17-16(23-19(22)24-18(17)21)12-25-11-14-4-2-1-3-5-14/h1-9H,11-12H2,(H4,21,22,23,24)