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

Systemtic Name: (phenylmethyl) 6-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenyl]hex-5-ynoate Openeye Name: benzyl 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]hex-5-ynoate CAS Name: 6-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenyl]-5-hexynoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenyl]hex-5-ynoate Traditional Name: 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]hex-5-ynoic acid benzyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#CCCCC(=O)OCC2=CC=CC=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1=C(C=C(C=C1)C#CCCCC(=O)OCC2=CC=CC=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C25H26N4O3/c1-31-22-13-12-18(14-20(22)15-21-16-28-25(27)29-24(21)26)8-4-3-7-11-23(30)32-17-19-9-5-2-6-10-19/h2,5-6,9-10,12-14,16H,3,7,11,15,17H2,1H3,(H4,26,27,28,29)