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

Systemtic Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrate Openeye Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrate CAS Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrate IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrate Traditional Name: [2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4-yl]amine hydrate Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.O

InChI

InChI=1S/C14H18N4O3.H2O/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;/h5-7H,4H2,1-3H3,(H4,15,16,17,18);1H2