2-azanyl-1-(phenylmethyl)-7H-purin-6-one; 2-nitrosopyrimidine

Systemtic Name: 2-azanyl-1-(phenylmethyl)-7H-purin-6-one; 2-nitrosopyrimidine Openeye Name: 2-amino-1-benzyl-7H-purin-6-one; 2-nitrosopyrimidine CAS Name: 2-amino-1-(phenylmethyl)-7H-purin-6-one; 2-nitrosopyrimidine IUPAC Name: 2-amino-1-benzyl-7H-purin-6-one; 2-nitrosopyrimidine Traditional Name: 2-amino-1-benzyl-7H-purin-6-one; 2-nitrosopyrimidine Formula: C16H14N8O2 MolecularWeight: 350.33476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N=C2N.C1=CN=C(N=C1)N=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N=C2N.C1=CN=C(N=C1)N=O

InChI

InChI=1S/C12H11N5O.C4H3N3O/c13-12-16-10-9(14-7-15-10)11(18)17(12)6-8-4-2-1-3-5-8;8-7-4-5-2-1-3-6-4/h1-5,7H,6H2,(H2,13,16)(H,14,15);1-3H