3,7-dimethyl-1-(10-oxidanylideneicosyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(10-oxidanylideneicosyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(10-oxoicosyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(10-oxoeicosyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(10-oxoicosyl)purine-2,6-dione Traditional Name: 1-(10-ketoeicosyl)-3,7-dimethyl-xanthine Formula: C27H46N4O3 MolecularWeight: 474.67914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCC(=O)CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C27H46N4O3/c1-4-5-6-7-8-10-13-16-19-23(32)20-17-14-11-9-12-15-18-21-31-26(33)24-25(28-22-29(24)2)30(3)27(31)34/h22H,4-21H2,1-3H3