2-azanyl-3,7-bis[(4-nitrophenyl)methyl]purin-6-one

Systemtic Name: 2-azanyl-3,7-bis[(4-nitrophenyl)methyl]purin-6-one Openeye Name: 2-amino-3,7-bis[(4-nitrophenyl)methyl]purin-6-one CAS Name: 2-amino-3,7-bis[(4-nitrophenyl)methyl]-6-purinone IUPAC Name: 2-amino-3,7-bis[(4-nitrophenyl)methyl]purin-6-one Traditional Name: 2-amino-3,7-bis(4-nitrobenzyl)purin-6-one Formula: C19H15N7O5 MolecularWeight: 421.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=C(N3CC4=CC=C(C=C4)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=C(N3CC4=CC=C(C=C4)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O5/c20-19-22-18(27)16-17(24(19)10-13-3-7-15(8-4-13)26(30)31)21-11-23(16)9-12-1-5-14(6-2-12)25(28)29/h1-8,11H,9-10H2,(H2,20,22,27)