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

Systemtic Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(3-oxidanylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-(3-hydroxypropyl)-9-(2-methoxy-5-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-(3-hydroxypropyl)-9-(2-methoxy-5-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-(3-hydroxypropyl)-9-(2-methoxy-5-methylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(3-hydroxypropyl)-9-(2-methoxy-5-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-13-6-7-15(29-3)14(12-13)23-8-4-9-24-16-17(21-19(23)24)22(2)20(28)25(18(16)27)10-5-11-26/h6-7,12,26H,4-5,8-11H2,1-3H3