9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-methylallyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-methylallyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C

InChI

InChI=1S/C21H25N5O3/c1-13(2)12-26-19(27)17-18(23(4)21(26)28)22-20-24(9-6-10-25(17)20)15-11-14(3)7-8-16(15)29-5/h7-8,11H,1,6,9-10,12H2,2-5H3