7-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenyl]hept-6-ynoic acid

Systemtic Name: 7-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenyl]hept-6-ynoic acid Openeye Name: 7-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]hept-6-ynoic acid CAS Name: 7-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenyl]-6-heptynoic acid IUPAC Name: 7-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenyl]hept-6-ynoic acid Traditional Name: 7-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]hept-6-ynoic acid Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#CCCCCC(=O)O)CC2=CN=C(N=C2N)N

Isomeric SMILES

COC1=C(C=C(C=C1)C#CCCCCC(=O)O)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C19H22N4O3/c1-26-16-9-8-13(6-4-2-3-5-7-17(24)25)10-14(16)11-15-12-22-19(21)23-18(15)20/h8-10,12H,2-3,5,7,11H2,1H3,(H,24,25)(H4,20,21,22,23)