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

Systemtic Name: 5-[(3,4-dimethoxy-5-prop-2-ynoxy-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3,4-dimethoxy-5-prop-2-ynoxy-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(3,4-dimethoxy-5-prop-2-ynoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4-dimethoxy-5-prop-2-ynoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,4-dimethoxy-5-propargyloxy-benzyl)pyrimidin-4-yl]amine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-4-5-23-13-8-10(7-12(21-2)14(13)22-3)6-11-9-19-16(18)20-15(11)17/h1,7-9H,5-6H2,2-3H3,(H4,17,18,19,20)