4-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenoxy]butanenitrile

Systemtic Name: 4-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenoxy]butanenitrile Openeye Name: 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenoxy]butanenitrile CAS Name: 4-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenoxy]butanenitrile IUPAC Name: 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenoxy]butanenitrile Traditional Name: 4-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenoxy]butyronitrile Formula: C17H21N5O3 MolecularWeight: 343.38034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCCC#N)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCCC#N)OC

InChI

InChI=1S/C17H21N5O3/c1-23-13-8-11(7-12-10-21-17(20)22-16(12)19)9-14(15(13)24-2)25-6-4-3-5-18/h8-10H,3-4,6-7H2,1-2H3,(H4,19,20,21,22)