1-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-5-methoxy-phenyl]-2-chloranyl-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-chloranyl-2-methoxy-4-phenyl-but-3-yn-1-one Openeye Name: 2-chloro-1-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-5-methoxy-phenyl]-2-methoxy-4-phenyl-but-3-yn-1-one CAS Name: 2-chloro-1-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-5-methoxyphenyl]-2-methoxy-4-phenyl-3-butyn-1-one IUPAC Name: 2-chloro-1-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-5-methoxyphenyl]-2-methoxy-4-phenylbut-3-yn-1-one Traditional Name: 2-chloro-1-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-5-methoxy-phenyl]-2-methoxy-4-phenyl-but-3-yn-1-one Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O3/c1-30-19-12-16(11-18-14-27-22(26)28-21(18)25)10-17(13-19)20(29)23(24,31-2)9-8-15-6-4-3-5-7-15/h3-7,10,12-14H,11H2,1-2H3,(H4,25,26,27,28)