8-[3-(butylamino)propylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[3-(butylamino)propylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[3-(butylamino)propylamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[3-(butylamino)propylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[3-(butylamino)propylamino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[3-(butylamino)propylamino]-1,3-dimethyl-xanthine Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNCCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H30N6O2/c1-4-5-12-22-13-9-14-23-20-24-18-17(19(28)26(3)21(29)25(18)2)27(20)15-16-10-7-6-8-11-16/h6-8,10-11,22H,4-5,9,12-15H2,1-3H3,(H,23,24)