5-[[3,4-dimethoxy-5-(1-methoxyprop-2-ynoxy)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,4-dimethoxy-5-(1-methoxyprop-2-ynoxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,4-dimethoxy-5-(1-methoxyprop-2-ynoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,4-dimethoxy-5-(1-methoxyprop-2-ynoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,4-dimethoxy-5-(1-methoxyprop-2-ynoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,4-dimethoxy-5-(1-methoxyprop-2-ynoxy)benzyl]pyrimidin-4-yl]amine Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OC(C#C)OC)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OC(C#C)OC)OC

InChI

InChI=1S/C17H20N4O4/c1-5-14(23-3)25-13-8-10(7-12(22-2)15(13)24-4)6-11-9-20-17(19)21-16(11)18/h1,7-9,14H,6H2,2-4H3,(H4,18,19,20,21)