3-[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]prop-2-yn-1-ol

Systemtic Name: 3-[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]prop-2-yn-1-ol Openeye Name: 3-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]prop-2-yn-1-ol CAS Name: 3-[6-[(2,4-diamino-5-pyrimidinyl)methyl]-8-ethoxy-2,2-dimethyl-1-benzopyran-4-yl]-2-propyn-1-ol IUPAC Name: 3-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethylchromen-4-yl]prop-2-yn-1-ol Traditional Name: 3-[6-[(2,4-diaminopyrimidin-5-yl)methyl]-8-ethoxy-2,2-dimethyl-chromen-4-yl]prop-2-yn-1-ol Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-4-27-17-10-13(8-15-12-24-20(23)25-19(15)22)9-16-14(6-5-7-26)11-21(2,3)28-18(16)17/h9-12,26H,4,7-8H2,1-3H3,(H4,22,23,24,25)