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

Systemtic Name: 5-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenoxy]pentanenitrile Openeye Name: 5-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenoxy]pentanenitrile CAS Name: 5-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenoxy]pentanenitrile IUPAC Name: 5-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenoxy]pentanenitrile Traditional Name: 5-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenoxy]valeronitrile Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c1-24-14-9-12(8-13-11-22-18(21)23-17(13)20)10-15(16(14)25-2)26-7-5-3-4-6-19/h9-11H,3-5,7-8H2,1-2H3,(H4,20,21,22,23)