9-(4-nitrophenyl)-2-(2-propoxyphenyl)-3H-purin-6-one

Systemtic Name: 9-(4-nitrophenyl)-2-(2-propoxyphenyl)-3H-purin-6-one Openeye Name: 9-(4-nitrophenyl)-2-(2-propoxyphenyl)-3H-purin-6-one CAS Name: 9-(4-nitrophenyl)-2-(2-propoxyphenyl)-3H-purin-6-one IUPAC Name: 9-(4-nitrophenyl)-2-(2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-(4-nitrophenyl)-2-(2-propoxyphenyl)-3H-purin-6-one Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4/c1-2-11-29-16-6-4-3-5-15(16)18-22-19-17(20(26)23-18)21-12-24(19)13-7-9-14(10-8-13)25(27)28/h3-10,12H,2,11H2,1H3,(H,22,23,26)