4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-methyl-N-[(3-nitrophenyl)methyl]butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-methyl-N-[(3-nitrophenyl)methyl]butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-methyl-N-(3-nitrobenzyl)butyramide Formula: C19H22N6O5 MolecularWeight: 414.41518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O5/c1-21(11-13-6-4-7-14(10-13)25(29)30)15(26)8-5-9-24-12-20-17-16(24)18(27)23(3)19(28)22(17)2/h4,6-7,10,12H,5,8-9,11H2,1-3H3