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

Systemtic Name: 9-(furan-2-ylmethyl)-1-methyl-3-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-benzyl-9-(2-furylmethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2-furanylmethyl)-1-methyl-3-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-benzyl-9-(furan-2-ylmethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-benzyl-9-(2-furfuryl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CO5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N4CCCN(C4=N2)CC5=CC=CO5

InChI

InChI=1S/C21H21N5O3/c1-23-18-17(19(27)26(21(23)28)13-15-7-3-2-4-8-15)25-11-6-10-24(20(25)22-18)14-16-9-5-12-29-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3