4-[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]benzenecarbonitrile

Systemtic Name: 4-[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]benzenecarbonitrile Openeye Name: 4-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]benzonitrile CAS Name: 4-[6-[(2,4-diamino-5-pyrimidinyl)methyl]-8-ethoxy-2,2-dimethyl-1-benzopyran-4-yl]benzonitrile IUPAC Name: 4-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethylchromen-4-yl]benzonitrile Traditional Name: 4-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]benzonitrile Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC(O2)(C)C)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC(O2)(C)C)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H25N5O2/c1-4-31-21-11-16(9-18-14-29-24(28)30-23(18)27)10-19-20(12-25(2,3)32-22(19)21)17-7-5-15(13-26)6-8-17/h5-8,10-12,14H,4,9H2,1-3H3,(H4,27,28,29,30)