(4-chloranylnaphthalen-1-yl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: (4-chloranylnaphthalen-1-yl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (4-chloro-1-naphthyl) 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid (4-chloro-1-naphthyl) ester Formula: C19H15ClN4O3 MolecularWeight: 382.8004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC3=CC=C(C4=CC=CC=C43)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC3=CC=C(C4=CC=CC=C43)Cl

InChI

InChI=1S/C19H15ClN4O3/c1-23-18-14(10-22-23)19(26)24(11-21-18)9-8-17(25)27-16-7-6-15(20)12-4-2-3-5-13(12)16/h2-7,10-11H,8-9H2,1H3