N4-(oxan-2-yloxy)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrate

Systemtic Name: N4-(oxan-2-yloxy)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrate Openeye Name: N4-tetrahydropyran-2-yloxy-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrate CAS Name: N4-(2-oxanyloxy)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrate IUPAC Name: 4-N-(oxan-2-yloxy)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrate Traditional Name: [2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4-yl]-tetrahydropyran-2-yloxy-amine hydrate Formula: C19H28N4O6 MolecularWeight: 408.44882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2NOC3CCCCO3)N.O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2NOC3CCCCO3)N.O

InChI

InChI=1S/C19H26N4O5.H2O/c1-24-14-9-12(10-15(25-2)17(14)26-3)8-13-11-21-19(20)22-18(13)23-28-16-6-4-5-7-27-16;/h9-11,16H,4-8H2,1-3H3,(H3,20,21,22,23);1H2