9-(5-chloranyl-2-methoxy-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(5-chloranyl-2-methoxy-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(5-chloro-2-methoxy-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(5-chloro-2-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(5-chloro-2-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(5-chloro-2-methoxy-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C16H16ClN5O3/c1-20-13-12(14(23)19-16(20)24)22-7-3-6-21(15(22)18-13)10-8-9(17)4-5-11(10)25-2/h4-5,8H,3,6-7H2,1-2H3,(H,19,23,24)