6-[(4,5-dihydropyrimidin-2-ylamino)-(3-methoxy-2-oxidanyl-phenyl)methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(4,5-dihydropyrimidin-2-ylamino)-(3-methoxy-2-oxidanyl-phenyl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(4,5-dihydropyrimidin-2-ylamino)-(2-hydroxy-3-methoxy-phenyl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(4,5-dihydropyrimidin-2-ylamino)-(2-hydroxy-3-methoxyphenyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(4,5-dihydropyrimidin-2-ylamino)-(2-hydroxy-3-methoxyphenyl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4,5-dihydropyrimidin-2-ylamino)-(2-hydroxy-3-methoxy-phenyl)methyl]sesamol Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(C2=CC3=C(C=C2O)OCO3)NC4=NCCC=N4

Isomeric SMILES

COC1=CC=CC(=C1O)C(C2=CC3=C(C=C2O)OCO3)NC4=NCCC=N4

InChI

InChI=1S/C19H19N3O5/c1-25-14-5-2-4-11(18(14)24)17(22-19-20-6-3-7-21-19)12-8-15-16(9-13(12)23)27-10-26-15/h2,4-6,8-9,17,23-24H,3,7,10H2,1H3,(H,21,22)