5-[3-(3,4,5-trimethoxyphenyl)prop-1-ynyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[3-(3,4,5-trimethoxyphenyl)prop-1-ynyl]pyrimidine-2,4-diamine Openeye Name: 5-[3-(3,4,5-trimethoxyphenyl)prop-1-ynyl]pyrimidine-2,4-diamine CAS Name: 5-[3-(3,4,5-trimethoxyphenyl)prop-1-ynyl]pyrimidine-2,4-diamine IUPAC Name: 5-[3-(3,4,5-trimethoxyphenyl)prop-1-ynyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(3,4,5-trimethoxyphenyl)prop-1-ynyl]pyrimidin-4-yl]amine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-21-12-7-10(8-13(22-2)14(12)23-3)5-4-6-11-9-19-16(18)20-15(11)17/h7-9H,5H2,1-3H3,(H4,17,18,19,20)