4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]oxy-3-ethoxy-benzaldehyde

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]oxy-3-ethoxy-benzaldehyde Openeye Name: 4-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxy-3-ethoxy-benzaldehyde CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)oxy]-3-ethoxybenzaldehyde IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)oxy-3-ethoxybenzaldehyde Traditional Name: 4-(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxy-3-ethoxy-benzaldehyde Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H20N4O5/c1-5-9-23-15-16(21(3)19(26)22(4)17(15)25)20-18(23)28-13-8-7-12(11-24)10-14(13)27-6-2/h5,7-8,10-11H,1,6,9H2,2-4H3