3-(2-azanylethyl)-8-tert-butyl-7-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 3-(2-azanylethyl)-8-tert-butyl-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-(2-aminoethyl)-7-benzyl-8-tert-butyl-1-propyl-purine-2,6-dione CAS Name: 3-(2-aminoethyl)-8-tert-butyl-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-(2-aminoethyl)-7-benzyl-8-tert-butyl-1-propylpurine-2,6-dione Traditional Name: 3-(2-aminoethyl)-7-benzyl-8-tert-butyl-1-propyl-xanthine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCN

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCN

InChI

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