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

Systemtic Name: 2-[1-methyl-2,4-bis(oxidanylidene)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]ethanoate Openeye Name: 2-(1-methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate CAS Name: 2-(1-methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate IUPAC Name: 2-(1-methyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate Traditional Name: 2-(2,4-diketo-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate Formula: C17H16N5O4- MolecularWeight: 354.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O4/c1-19-14-13(15(25)22(17(19)26)10-12(23)24)21-9-5-8-20(16(21)18-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,23,24)/p-1