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

Systemtic Name: 9-(2,5-dimethoxyphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(2,5-dimethoxyphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2,5-dimethoxyphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(2,5-dimethoxyphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(2,5-dimethoxyphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C26H29N5O4 MolecularWeight: 475.53956

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O4/c1-17-15-30(20-14-19(34-3)10-11-21(20)35-4)25-27-23-22(31(25)16-17)24(32)29(26(33)28(23)2)13-12-18-8-6-5-7-9-18/h5-11,14,17H,12-13,15-16H2,1-4H3