8-azanyl-7-chloranyl-2-(phenylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Systemtic Name: 8-azanyl-7-chloranyl-2-(phenylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Openeye Name: 8-amino-2-benzyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-one CAS Name: 8-amino-7-chloro-2-(phenylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one IUPAC Name: 8-amino-2-benzyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Traditional Name: 8-amino-2-benzyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Formula: C12H10ClN5O MolecularWeight: 275.6937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)N3C=NC(=C(C3=N2)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)N3C=NC(=C(C3=N2)N)Cl

InChI

InChI=1S/C12H10ClN5O/c13-10-9(14)11-16-18(12(19)17(11)7-15-10)6-8-4-2-1-3-5-8/h1-5,7H,6,14H2