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

Systemtic Name: 6-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenyl]hex-5-ynoic acid Openeye Name: 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]hex-5-ynoic acid CAS Name: 6-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenyl]-5-hexynoic acid IUPAC Name: 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenyl]hex-5-ynoic acid Traditional Name: 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]hex-5-ynoic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-25-15-8-7-12(5-3-2-4-6-16(23)24)9-13(15)10-14-11-21-18(20)22-17(14)19/h7-9,11H,2,4,6,10H2,1H3,(H,23,24)(H4,19,20,21,22)