(E)-2-[[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-2-(4-hydroxyphenyl)phenoxy]methyl]-3-cyclopropyl-prop-2-enenitrile

Systemtic Name: (E)-2-[[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-2-(4-hydroxyphenyl)phenoxy]methyl]-3-cyclopropyl-prop-2-enenitrile Openeye Name: (E)-3-cyclopropyl-2-[[5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-(4-hydroxyphenyl)phenoxy]methyl]prop-2-enenitrile CAS Name: (E)-3-cyclopropyl-2-[[5-[(2,4-diamino-5-pyrimidinyl)methyl]-3-ethoxy-2-(4-hydroxyphenyl)phenoxy]methyl]-2-propenenitrile IUPAC Name: (E)-3-cyclopropyl-2-[[5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-(4-hydroxyphenyl)phenoxy]methyl]prop-2-enenitrile Traditional Name: (E)-3-cyclopropyl-2-[[5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-2-(4-hydroxyphenyl)phenoxy]methyl]acrylonitrile Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)O)OCC(=CC3CC3)C#N)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)O)OC/C(=C/C3CC3)/C#N)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C26H27N5O3/c1-2-33-22-11-17(10-20-14-30-26(29)31-25(20)28)12-23(24(22)19-5-7-21(32)8-6-19)34-15-18(13-27)9-16-3-4-16/h5-9,11-12,14,16,32H,2-4,10,15H2,1H3,(H4,28,29,30,31)/b18-9+