9-(4-butylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(4-butylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-allyl-9-(4-butylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-butylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-butylphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-allyl-9-(4-butylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C

InChI

InChI=1S/C22H27N5O2/c1-4-6-8-16-9-11-17(12-10-16)25-14-7-15-26-18-19(23-21(25)26)24(3)22(29)27(13-5-2)20(18)28/h5,9-12H,2,4,6-8,13-15H2,1,3H3