8-(butan-2-ylamino)-7-decyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-(butan-2-ylamino)-7-decyl-3-methyl-purine-2,6-dione Openeye Name: 7-decyl-3-methyl-8-(sec-butylamino)purine-2,6-dione CAS Name: 8-(butan-2-ylamino)-7-decyl-3-methylpurine-2,6-dione IUPAC Name: 8-(butan-2-ylamino)-7-decyl-3-methylpurine-2,6-dione Traditional Name: 7-decyl-3-methyl-8-(sec-butylamino)xanthine Formula: C20H35N5O2 MolecularWeight: 377.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1NC(C)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1NC(C)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H35N5O2/c1-5-7-8-9-10-11-12-13-14-25-16-17(22-19(25)21-15(3)6-2)24(4)20(27)23-18(16)26/h15H,5-14H2,1-4H3,(H,21,22)(H,23,26,27)