5-(2-ethoxy-5-nitro-phenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one

Systemtic Name: 5-(2-ethoxy-5-nitro-phenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Openeye Name: 5-(2-ethoxy-5-nitro-phenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one CAS Name: 5-(2-ethoxy-5-nitrophenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one IUPAC Name: 5-(2-ethoxy-5-nitrophenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Traditional Name: 5-(2-ethoxy-5-nitro-phenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)[N+](=O)[O-])OCC)N(C1)C

Isomeric SMILES

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)[N+](=O)[O-])OCC)N(C1)C

InChI

InChI=1S/C18H24N4O4/c1-4-8-21-10-14-16(19-18(23)17(14)20(3)11-21)13-9-12(22(24)25)6-7-15(13)26-5-2/h6-7,9,16H,4-5,8,10-11H2,1-3H3,(H,19,23)