methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-3-methoxy-6-(2-phenylethynyl)naphthalene-2-carboperoxoate

Systemtic Name: methyl 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-3-methoxy-6-(2-phenylethynyl)naphthalene-2-carboperoxoate Openeye Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-3-methoxy-6-(2-phenylethynyl)naphthalene-2-carboperoxoate CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-1-ethyl-3-methoxy-6-(2-phenylethynyl)-2-naphthalenecarboperoxoic acid methyl ester IUPAC Name: methyl 5-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-3-methoxy-6-(2-phenylethynyl)naphthalene-2-carboperoxoate Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-3-methoxy-6-(2-phenylethynyl)naphthalene-2-carboperoxoic acid methyl ester Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C(C2=CC(=C1C(=O)OOC)OC)CC3=CN=C(N=C3N)N)C#CC4=CC=CC=C4

Isomeric SMILES

CCC1=C2C=CC(=C(C2=CC(=C1C(=O)OOC)OC)CC3=CN=C(N=C3N)N)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H26N4O4/c1-4-20-21-13-12-18(11-10-17-8-6-5-7-9-17)22(14-19-16-31-28(30)32-26(19)29)23(21)15-24(34-2)25(20)27(33)36-35-3/h5-9,12-13,15-16H,4,14H2,1-3H3,(H4,29,30,31,32)