8-(hexylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-(hexylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(hexylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(hexylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(hexylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(hexylamino)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O2/c1-3-4-5-9-14-22-20-23-18-17(19(27)24-21(28)25(18)2)26(20)15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,3-5,9-10,13-15H2,1-2H3,(H,22,23)(H,24,27,28)