8-(1-adamantyl)-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-(1-adamantyl)-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-(1-adamantyl)-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-(1-adamantyl)-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-(1-adamantyl)-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-(1-adamantyl)-7-methyl-1,3-dipropyl-xanthine Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H32N4O2/c1-4-6-25-18-17(19(27)26(7-5-2)21(25)28)24(3)20(23-18)22-11-14-8-15(12-22)10-16(9-14)13-22/h14-16H,4-13H2,1-3H3