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

Systemtic Name: 5-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenyl]pent-4-ynoic acid Openeye Name: 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]pent-4-ynoic acid CAS Name: 5-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenyl]-4-pentynoic acid IUPAC Name: 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenyl]pent-4-ynoic acid Traditional Name: 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]pent-4-ynoic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-24-14-7-6-11(4-2-3-5-15(22)23)8-12(14)9-13-10-20-17(19)21-16(13)18/h6-8,10H,3,5,9H2,1H3,(H,22,23)(H4,18,19,20,21)