5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-7,8-dimethoxy-2-methyl-3,4-dihydro-2H-chromen-4-ol hydrate

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-7,8-dimethoxy-2-methyl-3,4-dihydro-2H-chromen-4-ol hydrate Openeye Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-7,8-dimethoxy-2-methyl-chroman-4-ol hydrate CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-7,8-dimethoxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4-ol hydrate IUPAC Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-7,8-dimethoxy-2-methyl-3,4-dihydro-2H-chromen-4-ol hydrate Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-7,8-dimethoxy-2-methyl-chroman-4-ol hydrate Formula: C17H24N4O5 MolecularWeight: 364.39626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC)O.O

Isomeric SMILES

CC1CC(C2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC)O.O

InChI

InChI=1S/C17H22N4O4.H2O/c1-8-4-11(22)13-9(5-10-7-20-17(19)21-16(10)18)6-12(23-2)14(24-3)15(13)25-8;/h6-8,11,22H,4-5H2,1-3H3,(H4,18,19,20,21);1H2