2-azanyl-9-(3-ethynyl-2-methyl-phenyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(3-ethynyl-2-methyl-phenyl)-3H-purin-6-one Openeye Name: 2-amino-9-(3-ethynyl-2-methyl-phenyl)-3H-purin-6-one CAS Name: 2-amino-9-(3-ethynyl-2-methylphenyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(3-ethynyl-2-methylphenyl)-3H-purin-6-one Traditional Name: 2-amino-9-(3-ethynyl-2-methyl-phenyl)-3H-purin-6-one Formula: C14H11N5O MolecularWeight: 265.27004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C=NC3=C2NC(=NC3=O)N)C#C

Isomeric SMILES

CC1=C(C=CC=C1N2C=NC3=C2NC(=NC3=O)N)C#C

InChI

InChI=1S/C14H11N5O/c1-3-9-5-4-6-10(8(9)2)19-7-16-11-12(19)17-14(15)18-13(11)20/h1,4-7H,2H3,(H3,15,17,18,20)