3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pteridin-4-one

Systemtic Name: 3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pteridin-4-one Openeye Name: 3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pteridin-4-one CAS Name: 3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-pteridinone IUPAC Name: 3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pteridin-4-one Traditional Name: 3-[4-(1,2,4-triazol-1-yl)benzyl]pteridin-4-one Formula: C15H11N7O MolecularWeight: 305.29414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=NC=CN=C3C2=O)N4C=NC=N4

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=NC=CN=C3C2=O)N4C=NC=N4

InChI

InChI=1S/C15H11N7O/c23-15-13-14(18-6-5-17-13)19-10-21(15)7-11-1-3-12(4-2-11)22-9-16-8-20-22/h1-6,8-10H,7H2