4-[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]but-3-yn-2-ol

Systemtic Name: 4-[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]but-3-yn-2-ol Openeye Name: 4-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]but-3-yn-2-ol CAS Name: 4-[6-[(2,4-diamino-5-pyrimidinyl)methyl]-8-ethoxy-2,2-dimethyl-1-benzopyran-4-yl]-3-butyn-2-ol IUPAC Name: 4-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethylchromen-4-yl]but-3-yn-2-ol Traditional Name: 4-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]but-3-yn-2-ol Formula: C22H26N4O3 MolecularWeight: 394.46684

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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)C#CC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-5-28-18-10-14(8-16-12-25-21(24)26-20(16)23)9-17-15(7-6-13(2)27)11-22(3,4)29-19(17)18/h9-13,27H,5,8H2,1-4H3,(H4,23,24,25,26)