9-(furan-2-ylmethyl)-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(furan-2-ylmethyl)-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(2-furylmethyl)-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2-furanylmethyl)-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(furan-2-ylmethyl)-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(2-furfuryl)-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCC3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CO5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCC3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CO5

InChI

InChI=1S/C23H25N5O3/c1-25-20-19(21(29)28(23(25)30)13-5-10-17-8-3-2-4-9-17)27-14-7-12-26(22(27)24-20)16-18-11-6-15-31-18/h2-4,6,8-9,11,15H,5,7,10,12-14,16H2,1H3