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

Systemtic Name: 3,7-dimethyl-1-[3-[7-methyl-2,6-bis(oxidanylidene)-3-propan-2-yl-purin-1-yl]propyl]purine-2,6-dione Openeye Name: 1-[3-(3-isopropyl-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-propan-2-yl-1-purinyl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(7-methyl-2,6-dioxo-3-propan-2-ylpurin-1-yl)propyl]purine-2,6-dione Traditional Name: 1-[3-(3-isopropyl-2,6-diketo-7-methyl-purin-1-yl)propyl]-3,7-dimethyl-xanthine Formula: C19H24N8O4 MolecularWeight: 428.44506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C1=O)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)N(C=N2)C

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C1=O)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)N(C=N2)C

InChI

InChI=1S/C19H24N8O4/c1-11(2)27-15-13(23(4)10-21-15)17(29)26(19(27)31)8-6-7-25-16(28)12-14(20-9-22(12)3)24(5)18(25)30/h9-11H,6-8H2,1-5H3