8-(2-azanylethylamino)-3,7-dimethyl-1-(phenylmethyl)-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-(2-azanylethylamino)-3,7-dimethyl-1-(phenylmethyl)-4,5-dihydropurine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-1-benzyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione CAS Name: 8-(2-aminoethylamino)-3,7-dimethyl-1-(phenylmethyl)-4,5-dihydropurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-1-benzyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-1-benzyl-3,7-dimethyl-4,5-dihydropurine-2,6-quinone Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(N=C1NCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2C(N=C1NCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C16H22N6O2/c1-20-12-13(19-15(20)18-9-8-17)21(2)16(24)22(14(12)23)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10,17H2,1-2H3,(H,18,19)