6-azanyl-5-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]pyrimidine-2,4-dione CAS Name: 6-amino-5-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]pyrimidine-2,4-quinone Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

Isomeric SMILES

CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C22H23N5O6/c1-2-25(11-15-8-17(27(30)31)9-16-12-32-13-33-19(15)16)18-20(23)26(22(29)24-21(18)28)10-14-6-4-3-5-7-14/h3-9H,2,10-13,23H2,1H3,(H,24,28,29)