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8-chloranyl-1,3-bis(1-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione

8-chloranyl-1,3-bis(1-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name:8-chloranyl-1,3-bis(1-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione
Openeye Name:7-benzyl-8-chloro-1,3-bis(1-methoxyethyl)purine-2,6-dione
CAS Name:8-chloro-1,3-bis(1-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione
IUPAC Name:7-benzyl-8-chloro-1,3-bis(1-methoxyethyl)purine-2,6-dione
Traditional Name:7-benzyl-8-chloro-1,3-bis(1-methoxyethyl)xanthine
Formula: C18H21ClN4O4
MolecularWeight: 392.83674
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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=C(C(=O)N(C1=O)C(C)OC)N(C(=N2)Cl)CC3=CC=CC=C3)OC


Isomeric SMILES

CC(N1C2=C(C(=O)N(C1=O)C(C)OC)N(C(=N2)Cl)CC3=CC=CC=C3)OC


InChI

InChI=1S/C18H21ClN4O4/c1-11(26-3)22-15-14(16(24)23(18(22)25)12(2)27-4)21(17(19)20-15)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3


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