3,7-dimethyl-1-[3-[7-methyl-2,6-bis(oxidanylidene)-3-prop-2-enyl-purin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[7-methyl-2,6-bis(oxidanylidene)-3-prop-2-enyl-purin-1-yl]propyl]purine-2,6-dione Openeye Name: 1-[3-(3-allyl-7-methyl-2,6-dioxo-purin-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(7-methyl-2,6-dioxo-3-prop-2-enyl-1-purinyl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(7-methyl-2,6-dioxo-3-prop-2-enylpurin-1-yl)propyl]purine-2,6-dione Traditional Name: 1-[3-(3-allyl-2,6-diketo-7-methyl-purin-1-yl)propyl]-3,7-dimethyl-xanthine Formula: C19H22N8O4 MolecularWeight: 426.42918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)CC=C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)CC=C

InChI

InChI=1S/C19H22N8O4/c1-5-7-25-15-13(23(3)11-21-15)17(29)27(19(25)31)9-6-8-26-16(28)12-14(20-10-22(12)2)24(4)18(26)30/h5,10-11H,1,6-9H2,2-4H3