3-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]-1-(4-chlorophenyl)prop-2-yn-1-one

Systemtic Name: 3-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]-1-(4-chlorophenyl)prop-2-yn-1-one Openeye Name: 1-(4-chlorophenyl)-3-(2,4-diamino-6-methyl-pyrimidin-5-yl)prop-2-yn-1-one CAS Name: 1-(4-chlorophenyl)-3-(2,4-diamino-6-methyl-5-pyrimidinyl)-2-propyn-1-one IUPAC Name: 1-(4-chlorophenyl)-3-(2,4-diamino-6-methylpyrimidin-5-yl)prop-2-yn-1-one Traditional Name: 1-(4-chlorophenyl)-3-(2,4-diamino-6-methyl-pyrimidin-5-yl)prop-2-yn-1-one Formula: C14H11ClN4O MolecularWeight: 286.71634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C#CC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C#CC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClN4O/c1-8-11(13(16)19-14(17)18-8)6-7-12(20)9-2-4-10(15)5-3-9/h2-5H,1H3,(H4,16,17,18,19)