7-methyl-8-nitro-1,3-bis(pyridin-3-ylmethyl)purine-2,6-dione

Systemtic Name: 7-methyl-8-nitro-1,3-bis(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 7-methyl-8-nitro-1,3-bis(3-pyridylmethyl)purine-2,6-dione CAS Name: 7-methyl-8-nitro-1,3-bis(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 7-methyl-8-nitro-1,3-bis(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 7-methyl-8-nitro-1,3-bis(3-pyridylmethyl)xanthine Formula: C18H15N7O4 MolecularWeight: 393.3562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC3=CN=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC3=CN=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C18H15N7O4/c1-22-14-15(21-17(22)25(28)29)23(10-12-4-2-6-19-8-12)18(27)24(16(14)26)11-13-5-3-7-20-9-13/h2-9H,10-11H2,1H3