8-[4-(2-methylpropoxy)-3-nitro-phenyl]-3,7-dihydropurin-6-one

Systemtic Name: 8-[4-(2-methylpropoxy)-3-nitro-phenyl]-3,7-dihydropurin-6-one Openeye Name: 8-(4-isobutoxy-3-nitro-phenyl)-3,7-dihydropurin-6-one CAS Name: 8-[4-(2-methylpropoxy)-3-nitrophenyl]-3,7-dihydropurin-6-one IUPAC Name: 8-[4-(2-methylpropoxy)-3-nitrophenyl]-3,7-dihydropurin-6-one Traditional Name: 8-(4-isobutoxy-3-nitro-phenyl)-3,7-dihydropurin-6-one Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NC3=C(N2)C(=O)N=CN3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NC3=C(N2)C(=O)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O4/c1-8(2)6-24-11-4-3-9(5-10(11)20(22)23)13-18-12-14(19-13)16-7-17-15(12)21/h3-5,7-8H,6H2,1-2H3,(H2,16,17,18,19,21)