5-[(3-but-3-yn-2-yloxy-4,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(3-but-3-yn-2-yloxy-4,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,4-dimethoxy-5-(1-methylprop-2-ynoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[(3-but-3-yn-2-yloxy-4,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3-but-3-yn-2-yloxy-4,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,4-dimethoxy-5-(1-methylprop-2-ynoxy)benzyl]pyrimidin-4-yl]amine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

Isomeric SMILES

CC(C#C)OC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C17H20N4O3/c1-5-10(2)24-14-8-11(7-13(22-3)15(14)23-4)6-12-9-20-17(19)21-16(12)18/h1,7-10H,6H2,2-4H3,(H4,18,19,20,21)