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

Systemtic Name: 1-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-methoxy-phenyl]-2-chloranyl-2-methoxy-but-3-yn-1-one Openeye Name: 2-chloro-1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-phenyl]-2-methoxy-but-3-yn-1-one CAS Name: 2-chloro-1-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-3-methoxyphenyl]-2-methoxy-3-butyn-1-one IUPAC Name: 2-chloro-1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxyphenyl]-2-methoxybut-3-yn-1-one Traditional Name: 2-chloro-1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-phenyl]-2-methoxy-but-3-yn-1-one Formula: C17H17ClN4O3 MolecularWeight: 360.79488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O3/c1-4-17(18,25-3)14(23)11-6-5-10(13(8-11)24-2)7-12-9-21-16(20)22-15(12)19/h1,5-6,8-9H,7H2,2-3H3,(H4,19,20,21,22)