N,N-dimethylmethanamide; 8-(3-nitrophenyl)-3,7-dihydropurin-6-one

Systemtic Name: N,N-dimethylmethanamide; 8-(3-nitrophenyl)-3,7-dihydropurin-6-one Openeye Name: N,N-dimethylformamide; 8-(3-nitrophenyl)-3,7-dihydropurin-6-one CAS Name: N,N-dimethylformamide; 8-(3-nitrophenyl)-3,7-dihydropurin-6-one IUPAC Name: N,N-dimethylformamide; 8-(3-nitrophenyl)-3,7-dihydropurin-6-one Traditional Name: N,N-dimethylformamide; 8-(3-nitrophenyl)-3,7-dihydropurin-6-one Formula: C14H14N6O4 MolecularWeight: 330.29876

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=O.C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C(=O)N=CN3

Isomeric SMILES

CN(C)C=O.C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C(=O)N=CN3

InChI

InChI=1S/C11H7N5O3.C3H7NO/c17-11-8-10(12-5-13-11)15-9(14-8)6-2-1-3-7(4-6)16(18)19;1-4(2)3-5/h1-5H,(H2,12,13,14,15,17);3H,1-2H3