1-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-5-methoxy-phenyl]-2-methoxy-4-phenyl-but-3-yn-1-one

Systemtic Name: 1-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-5-methoxy-phenyl]-2-methoxy-4-phenyl-but-3-yn-1-one Openeye Name: 1-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-5-methoxy-phenyl]-2-methoxy-4-phenyl-but-3-yn-1-one CAS Name: 1-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-5-methoxyphenyl]-2-methoxy-4-phenyl-3-butyn-1-one IUPAC Name: 1-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-5-methoxyphenyl]-2-methoxy-4-phenylbut-3-yn-1-one Traditional Name: 1-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-5-methoxy-phenyl]-2-methoxy-4-phenyl-but-3-yn-1-one Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC2=CN=C(N=C2N)N)C(=O)C(C#CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CC2=CN=C(N=C2N)N)C(=O)C(C#CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H22N4O3/c1-29-19-12-16(11-18-14-26-23(25)27-22(18)24)10-17(13-19)21(28)20(30-2)9-8-15-6-4-3-5-7-15/h3-7,10,12-14,20H,11H2,1-2H3,(H4,24,25,26,27)