8-(ethylamino)-3-methyl-1-(phenylmethyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(ethylamino)-3-methyl-1-(phenylmethyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 1-benzyl-8-(ethylamino)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylamino)-3-methyl-1-(phenylmethyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1-benzyl-8-(ethylamino)-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 1-benzyl-8-(ethylamino)-7-isopropyl-3-methyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CCNC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-5-19-17-20-15-14(23(17)12(2)3)16(24)22(18(25)21(15)4)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H,19,20)