1-[(2-chloranyl-5-nitro-phenyl)methyl]-3-methyl-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-3-methyl-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-3-methyl-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-3-methyl-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-3-methyl-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-chloro-5-nitro-benzyl)-3-methyl-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H13ClN6O3 MolecularWeight: 396.78722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN6O3/c1-10-15-17(21-16(22-18(15)26)11-4-6-20-7-5-11)24(23-10)9-12-8-13(25(27)28)2-3-14(12)19/h2-8,23H,9H2,1H3