2-azanyl-3-nitro-1-(phenylmethyl)-2,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-3-nitro-1-(phenylmethyl)-2,7-dihydropurin-6-one Openeye Name: 2-amino-1-benzyl-3-nitro-2,7-dihydropurin-6-one CAS Name: 2-amino-3-nitro-1-(phenylmethyl)-2,7-dihydropurin-6-one IUPAC Name: 2-amino-1-benzyl-3-nitro-2,7-dihydropurin-6-one Traditional Name: 2-amino-1-benzyl-3-nitro-2,7-dihydropurin-6-one Formula: C12H12N6O3 MolecularWeight: 288.26208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(N(C3=C(C2=O)NC=N3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(N(C3=C(C2=O)NC=N3)[N+](=O)[O-])N

InChI

InChI=1S/C12H12N6O3/c13-12-16(6-8-4-2-1-3-5-8)11(19)9-10(15-7-14-9)17(12)18(20)21/h1-5,7,12H,6,13H2,(H,14,15)