6-(2-dimethylaminoethyl)-4-(3-nitrophenyl)-2-phenyl-7H-pyrrolo[3,4-d]pyrimidin-5-one

Systemtic Name: 6-(2-dimethylaminoethyl)-4-(3-nitrophenyl)-2-phenyl-7H-pyrrolo[3,4-d]pyrimidin-5-one Openeye Name: 6-(2-dimethylaminoethyl)-4-(3-nitrophenyl)-2-phenyl-7H-pyrrolo[3,4-d]pyrimidin-5-one CAS Name: 6-(2-dimethylaminoethyl)-4-(3-nitrophenyl)-2-phenyl-7H-pyrrolo[3,4-d]pyrimidin-5-one IUPAC Name: 6-(2-dimethylaminoethyl)-4-(3-nitrophenyl)-2-phenyl-7H-pyrrolo[3,4-d]pyrimidin-5-one Traditional Name: 6-(2-dimethylaminoethyl)-4-(3-nitrophenyl)-2-phenyl-7H-pyrrolo[3,4-d]pyrimidin-5-one Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CC2=NC(=NC(=C2C1=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN(C)CCN1CC2=NC(=NC(=C2C1=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c1-25(2)11-12-26-14-18-19(22(26)28)20(16-9-6-10-17(13-16)27(29)30)24-21(23-18)15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3