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

Systemtic Name: 7-(2-chloroethyl)-1,3-dimethyl-8-(phenylmethyl)-4,5-dihydropurine-2,6-dione Openeye Name: 8-benzyl-7-(2-chloroethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione CAS Name: 7-(2-chloroethyl)-1,3-dimethyl-8-(phenylmethyl)-4,5-dihydropurine-2,6-dione IUPAC Name: 8-benzyl-7-(2-chloroethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-benzyl-7-(2-chloroethyl)-1,3-dimethyl-4,5-dihydropurine-2,6-quinone Formula: C16H19ClN4O2 MolecularWeight: 334.80066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCCl

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCCl

InChI

InChI=1S/C16H19ClN4O2/c1-19-14-13(15(22)20(2)16(19)23)21(9-8-17)12(18-14)10-11-6-4-3-5-7-11/h3-7,13-14H,8-10H2,1-2H3