2-[1-methyl-2,4-bis(oxidanylidene)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-[1-methyl-2,4-bis(oxidanylidene)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]ethanoate Openeye Name: 2-(1-methyl-2,4-dioxo-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate CAS Name: 2-(1-methyl-2,4-dioxo-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate IUPAC Name: 2-(1-methyl-2,4-dioxo-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate Traditional Name: 2-(2,4-diketo-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate Formula: C19H20N5O4- MolecularWeight: 382.3932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)[O-])N3CCCN(C3=N2)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)[O-])N3CCCN(C3=N2)CCC4=CC=CC=C4

InChI

InChI=1S/C19H21N5O4/c1-21-16-15(17(27)24(19(21)28)12-14(25)26)23-10-5-9-22(18(23)20-16)11-8-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,25,26)/p-1