4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]oxybenzaldehyde

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]oxybenzaldehyde Openeye Name: 4-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzaldehyde CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)oxy]benzaldehyde IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)oxybenzaldehyde Traditional Name: 4-(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzaldehyde Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1OC3=CC=C(C=C3)C=O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1OC3=CC=C(C=C3)C=O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H18N4O4/c1-10(2)21-13-14(19(3)17(24)20(4)15(13)23)18-16(21)25-12-7-5-11(9-22)6-8-12/h5-10H,1-4H3