9-(5-chloranyl-2-methoxy-phenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(5-chloranyl-2-methoxy-phenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(5-chloro-2-methoxy-phenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(5-chloro-2-methoxyphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(5-chloro-2-methoxyphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(5-chloro-2-methoxy-phenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C25H26ClN5O3 MolecularWeight: 479.95864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C5=C(C=CC(=C5)Cl)OC

Isomeric SMILES

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C5=C(C=CC(=C5)Cl)OC

InChI

InChI=1S/C25H26ClN5O3/c1-16-14-30(19-13-18(26)9-10-20(19)34-3)24-27-22-21(31(24)15-16)23(32)29(25(33)28(22)2)12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3