2-methyl-1-purin-7-yl-prop-2-en-1-one

Systemtic Name: 2-methyl-1-purin-7-yl-prop-2-en-1-one Openeye Name: 2-methyl-1-purin-7-yl-prop-2-en-1-one CAS Name: 2-methyl-1-(7-purinyl)-2-propen-1-one IUPAC Name: 2-methyl-1-purin-7-ylprop-2-en-1-one Traditional Name: 2-methyl-1-purin-7-yl-prop-2-en-1-one Formula: C9H8N4O MolecularWeight: 188.18602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)N1C=NC2=NC=NC=C21

Isomeric SMILES

CC(=C)C(=O)N1C=NC2=NC=NC=C21

InChI

InChI=1S/C9H8N4O/c1-6(2)9(14)13-5-12-8-7(13)3-10-4-11-8/h3-5H,1H2,2H3