1,3-dimethyl-8-nitro-9-[(2-phenoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nitro-9-[(2-phenoxyphenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-9-[(2-phenoxyphenyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-9-[(2-phenoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-9-[(2-phenoxyphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-nitro-9-(2-phenoxybenzyl)xanthine Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=CC=C3OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=CC=C3OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5/c1-22-17-16(18(26)23(2)20(22)27)21-19(25(28)29)24(17)12-13-8-6-7-11-15(13)30-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3