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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N)C(=O)O

Isomeric SMILES

CC(CC#CC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N)C(=O)O

InChI

InChI=1S/C18H20N4O3/c1-11(17(23)24)4-3-5-12-6-7-15(25-2)13(8-12)9-14-10-21-18(20)22-16(14)19/h6-8,10-11H,4,9H2,1-2H3,(H,23,24)(H4,19,20,21,22)